data_2yt1_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 2yt1 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -74.21 -35.61 63.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -52.6 -46.41 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -52.89 -47.88 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -61.77 -23.8 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.61 -29.75 27.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.01 -74.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.43 -45.48 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.3 -156.08 16.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.67 118.35 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -102.17 132.8 47.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 71' ' ' GLN . 1.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.83 0.348 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.484 ' N ' ' CG2' ' A' ' 70' ' ' VAL . 20.2 mt-30 -106.89 123.63 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -119.26 129.59 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -121.49 155.45 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 74' ' ' ARG . 3.5 tmt_? -95.92 121.82 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 35.0 m -157.8 164.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -101.07 163.1 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -116.59 100.21 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.9 mp -65.74 -43.07 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.53 -177.81 22.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.556 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 24.2 ttp -103.72 133.15 49.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -124.04 120.09 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 141.86 46.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.51 172.56 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.21 -23.0 11.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -113.37 142.15 27.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.67 29.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.36 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 142' ' ' PHE . 18.6 m -143.37 -176.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.97 121.22 3.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.09 -24.03 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.76 -22.71 46.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -85.27 -50.77 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 93' ' ' ASN . 8.7 tt -60.55 -54.16 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.419 ' N ' HD22 ' A' ' 92' ' ' LEU . 6.7 m-80 -53.39 -57.28 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -42.17 -47.27 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.33 -43.14 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 59.4 mt -51.12 -61.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.12 -32.47 47.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -63.29 -52.77 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.09 -34.19 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.24 -47.48 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 102' ' ' SER . 11.2 t -74.09 -24.93 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 101' ' ' THR . 8.9 t -61.53 -54.43 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -126.61 157.02 39.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.5 m -75.85 177.91 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -68.19 -36.31 79.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -81.4 -21.44 38.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -34.6 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.5 m0 -67.28 118.45 56.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.53 23.48 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.0 m -62.79 117.56 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.93 -177.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -135.44 133.85 39.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 7.9 ttm -86.35 109.08 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.36 98.28 11.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.47 105.49 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -146.71 147.53 31.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 t0 40.23 43.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 57.09 43.52 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.406 HG22 ' NE ' ' A' ' 136' ' ' ARG . 7.9 m -130.46 125.43 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.2 t -100.54 97.65 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 92.7 m -118.36 114.48 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.3 t -78.76 96.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mm -91.77 134.79 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 t -51.21 161.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.58 -62.15 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 36.4 pttt -80.8 -50.34 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 82.0 m-20 -73.59 131.12 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -102.57 -23.87 13.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -100.81 18.66 18.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.426 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 12.2 tp10 -78.92 -39.1 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.3 p 41.85 45.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' VAL . 62.1 mt -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 134' ' ' GLU . 73.8 t -138.09 144.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.463 ' N ' HG12 ' A' ' 133' ' ' VAL . 22.9 tt0 -128.1 111.26 13.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.6 t -126.1 144.37 50.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.406 ' NE ' HG22 ' A' ' 119' ' ' THR . 14.1 mmt180 -116.02 120.47 39.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 70.2 t -47.98 -47.52 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -49.87 -27.24 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -94.06 -31.45 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.5 tt -45.31 121.75 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.6 t -88.49 -58.48 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.464 ' HB2' ' CG1' ' A' ' 87' ' ' VAL . 16.7 t80 -138.85 153.01 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -151.58 150.85 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.06 176.28 46.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.64 162.6 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.376 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -85.11 -175.88 50.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -44.53 -29.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 147' ' ' LYS . 11.8 m-20 -112.28 137.64 50.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . 0.441 HG21 ' N ' ' A' ' 150' ' ' HIS . 31.4 m -59.46 -36.46 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.441 ' N ' HG21 ' A' ' 149' ' ' VAL . 50.8 m80 -53.45 -29.62 36.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 69.1 p -91.75 125.56 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -130.4 121.55 26.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.96 173.6 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.404 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 21.7 p90 -164.66 147.33 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 95.1 mt -100.97 132.45 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -128.74 157.87 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -103.96 130.54 51.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 16.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.867 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -137.76 130.08 29.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -118.22 139.68 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 25.6 t -114.65 111.29 21.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.556 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 86.8 m-70 -105.01 141.07 37.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 20.8 t -113.69 147.15 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.404 ' CE1' ' CE2' ' A' ' 154' ' ' PHE . 62.8 m-85 -145.76 139.29 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -91.17 134.01 34.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.2 m -121.58 145.32 48.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.2 mm-40 -135.43 135.6 22.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.2 Cg_endo -69.79 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 -1.801 . . . . 0.0 112.331 0.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.19 176.57 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.22 26.29 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.64 -42.96 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.46 -20.04 62.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.4 t -91.06 -51.87 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 92.3 p -60.06 -14.19 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.74 -37.53 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.48 77.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.71 -41.34 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.56 -47.53 85.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.12 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.37 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.809 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.3 mt -75.59 -39.13 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -52.13 -38.89 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -70.12 -41.11 74.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mmt -55.21 -25.35 32.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -86.33 -37.32 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -55.73 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -114.81 -37.48 4.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 -175.67 19.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -126.23 91.67 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.64 161.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 -179.885 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' CG2' ' OD1' ' A' ' 114' ' ' ASN . 3.0 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 70' ' ' VAL . 25.0 mt-30 -108.74 120.0 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -108.17 110.05 21.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -103.39 163.14 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -106.71 110.19 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.32 168.29 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -106.08 168.38 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -121.86 111.72 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.455 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.3 mp -70.29 -59.7 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.65 179.48 40.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.628 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 3.0 tpt -100.07 104.53 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' N ' ' HE3' ' A' ' 80' ' ' MET . 0.3 OUTLIER -112.09 114.11 51.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 137.0 34.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.641 2.228 . . . . 0.0 112.348 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.84 170.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -99.41 -26.41 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -124.54 144.29 45.76 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.662 0.744 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.484 ' HD3' ' CE2' ' A' ' 163' ' ' PHE . 53.9 Cg_endo -69.75 -19.52 36.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.58 172.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.03 144.58 10.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -81.85 -59.19 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -40.82 -29.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 59.4 m -83.09 -49.47 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.05 -44.81 87.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' SER . 3.1 m-80 -64.08 -56.95 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 4.0 t -36.15 -48.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.18 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.432 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 75.4 mt -49.15 -54.52 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -57.12 -42.23 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -52.77 -62.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.41 -32.57 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 mmt -53.0 -44.08 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.1 t -80.89 -28.24 36.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.188 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -66.09 -52.57 47.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -116.97 148.4 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.5 m -80.38 157.72 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.487 ' HA ' ' CZ2' ' A' ' 108' ' ' TRP . 66.3 tttt -49.21 -40.28 32.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.24 -37.97 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -46.41 -36.81 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.487 ' CZ2' ' HA ' ' A' ' 105' ' ' LYS . 3.9 m0 -59.9 120.09 47.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 136.97 34.26 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.9 p -66.6 114.19 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.64 176.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -130.28 140.56 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 18.3 tpp -92.46 99.62 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.451 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 33.8 t30 -84.28 95.97 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.52 109.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.84 148.33 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 39.55 47.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 53.69 46.83 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.5 m -138.1 118.13 13.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 135' ' ' CYS . 92.1 t -95.95 99.85 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.4 m -115.5 121.03 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 168' ' ' PHE . 90.1 t -83.34 97.22 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 16.0 mm -94.12 133.5 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -64.9 138.06 58.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.419 ' O ' ' CD ' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -59.9 -38.91 83.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -74.29 -54.57 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -103.27 129.41 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -87.11 -28.82 22.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.18 33.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.479 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 35.5 tp10 -94.64 -39.88 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 130' ' ' GLU . 7.1 p 43.78 49.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 131' ' ' VAL . 33.4 mt -36.75 -52.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 134' ' ' GLU . 85.5 t -129.65 136.88 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.444 ' N ' HG12 ' A' ' 133' ' ' VAL . 17.4 tt0 -121.49 96.85 5.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 120' ' ' VAL . 53.8 t -117.13 141.12 48.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -118.57 123.73 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 60.7 t -38.49 -35.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.1 mtm-85 -57.8 -45.88 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -74.52 -25.82 59.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 140' ' ' LEU . 6.6 tt -55.98 132.01 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.4 p -105.36 -48.78 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 143' ' ' MET . 18.0 t80 -146.17 153.96 41.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' MET . . . . . 0.418 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.8 ptp -148.03 154.28 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.69 -174.46 44.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 4.9 m -118.98 154.03 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.432 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -80.1 -167.81 36.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -25.55 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -112.86 124.17 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.21 -16.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 55.0 m80 -73.28 -27.5 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.416 HG21 ' CE3' ' A' ' 169' ' ' TRP . 29.4 p -92.74 122.4 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -121.87 113.99 20.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.07 157.25 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.435 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.8 p90 -146.17 144.39 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 60.3 mt -98.19 113.73 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -108.89 160.64 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -113.49 123.06 49.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.417 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 29.1 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.79 0.328 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.484 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 7.7 m-85 -137.55 123.9 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -119.45 144.7 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . 0.458 ' N ' ' HE1' ' A' ' 80' ' ' MET . 1.8 t -124.26 121.95 36.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.628 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 85.7 m-70 -111.82 117.52 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 40.6 t -91.0 139.42 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 122' ' ' VAL . 77.4 m-85 -139.13 136.89 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.416 ' CE3' HG21 ' A' ' 151' ' ' THR . 36.4 t-105 -91.83 137.03 32.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.54 161.77 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.53 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 39.7 mt-10 -150.45 137.67 11.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.75 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.34 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -118.76 175.74 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.05 39.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -85.01 -51.85 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -64.83 -23.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.71 -42.72 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 89.2 p -68.49 -33.79 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.94 -38.4 37.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.3 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.57 -33.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -59.88 -27.98 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -73.87 -28.88 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.26 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.756 0.312 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.38 -33.98 70.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -53.26 -33.86 54.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -59.47 -43.06 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 mmt -65.83 -11.65 48.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -106.54 -31.32 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -67.28 -74.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.52 -31.11 7.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.22 -173.78 26.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 47.0 t80 -134.86 108.13 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.07 163.45 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 55.8 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.457 ' CG1' ' OD1' ' A' ' 114' ' ' ASN . 25.0 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.764 0.316 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -97.46 125.2 41.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -121.89 133.75 54.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.79 152.54 43.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 74' ' ' ARG . 3.8 tmt_? -98.29 110.3 22.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.9 m -142.81 176.13 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -110.23 168.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -124.37 116.44 22.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.2 mp -79.22 -45.72 19.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.82 168.88 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.0 ttp -86.62 136.34 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.335 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -131.79 122.19 18.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.664 0.745 . . . . 0.0 110.891 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.455 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.75 132.07 22.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.97 154.67 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.72 -25.12 21.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -117.94 143.37 32.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.717 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -21.49 33.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.43 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.57 10.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.438 ' CE ' HD22 ' A' ' 92' ' ' LEU . 1.2 mmt -80.67 -49.44 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -51.09 -46.65 61.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -59.16 -40.88 86.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD22 ' CE ' ' A' ' 89' ' ' MET . 4.6 tp -58.67 -57.58 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.09 -47.52 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.8 t -42.2 -47.43 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.86 -50.93 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 82.0 mt -46.31 -57.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -62.52 -55.76 24.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -49.3 -48.62 46.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 t -80.11 -12.85 59.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -76.3 -19.49 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.66 179.85 8.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 49.6 m -100.57 165.16 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -61.77 -40.8 96.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.34 -16.3 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.5 -19.76 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.449 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.0 m0 -74.04 121.24 84.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.04 6.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -56.38 106.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.3 m -105.98 -178.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -132.54 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.8 tpp -86.5 103.68 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.457 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 44.4 t30 -90.65 96.25 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.61 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.414 ' CB ' HG23 ' A' ' 70' ' ' VAL . . . -148.73 150.36 33.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.0 t0 42.71 49.94 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.02 44.12 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.0 m -137.42 116.12 12.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 48.3 t -87.14 106.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -117.82 120.56 38.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.06 93.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -88.77 138.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -69.34 140.97 54.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.88 -33.26 68.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -101.53 36.14 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -171.78 160.07 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -121.88 -34.25 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -102.55 15.42 29.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.416 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 13.7 tp10 -69.51 -39.56 77.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 131' ' ' VAL . 7.2 p 41.41 47.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.5 mt -34.19 -42.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.4 t -144.33 131.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.28 104.18 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 21.6 t -121.82 144.57 48.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 35.6 mtt-85 -121.65 122.88 40.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.5 t -38.25 -45.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -74.93 -35.69 62.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.419 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 2.7 tt -47.95 136.16 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.9 p -110.82 -52.11 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -144.71 155.65 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -152.72 157.39 40.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -171.57 -158.38 15.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.21 163.94 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.38 179.26 43.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.72 120.11 41.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.2 m -43.97 -33.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -54.29 -42.68 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 40.1 p -72.82 130.08 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -135.03 118.54 16.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -128.49 172.29 11.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.63 149.46 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 54.5 mt -109.74 117.63 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.5 ptm -117.66 168.17 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -112.3 102.82 10.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.438 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 12.3 mmt85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 7.6 m-85 -137.87 120.9 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -110.94 156.34 21.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 32.6 t -132.4 105.05 7.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -97.85 130.59 44.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 168' ' ' PHE . 2.4 t -103.01 152.95 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 167' ' ' VAL . 81.1 m-85 -153.15 139.08 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -92.37 128.5 38.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 86.8 m -100.91 150.41 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.6 mt-10 -138.49 124.81 12.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.76 -50.46 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -119.92 173.37 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.93 32.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.57 -54.88 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.09 -29.35 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.16 -48.18 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.1 m -69.97 -22.25 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -81.8 -47.43 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.13 67.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 182' ' ' GLN . 7.6 p -79.27 -38.93 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 29.8 tt0 -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -43.58 -33.1 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.21 96.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.849 0.357 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' SER . 18.3 mt -68.55 -57.46 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' LEU . 90.3 p -36.9 -50.99 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -50.47 -46.68 56.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mtt -54.25 -32.29 55.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 146' ' ' GLY . 41.5 mt-30 -77.85 -26.69 49.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -60.63 -67.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.63 -37.63 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.82 -168.96 12.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -137.88 105.41 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' CE1' ' A' ' 26' ' ' TYR . 2.8 mp0 -81.11 156.21 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 19.2 t30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.433 ' CG2' ' OD1' ' A' ' 114' ' ' ASN . 7.6 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.737 0.303 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 19.1 mt-30 -106.11 120.65 42.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -110.49 113.74 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 98.8 m-85 -110.74 163.08 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.488 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -107.5 125.88 51.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 21.7 m -160.1 178.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -113.2 157.41 21.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.0 108.8 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.511 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.5 mp -74.47 -32.62 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.93 -166.74 24.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 20.1 ttp -112.0 128.13 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -123.82 122.15 26.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.458 ' N ' HD12 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.85 132.07 22.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.8 m -109.45 154.78 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.39 -30.96 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -122.65 144.77 43.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -16.97 37.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 m -141.7 175.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.8 134.61 6.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.487 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -69.06 -57.76 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.723 0.297 . . . . 0.0 110.832 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -44.57 -39.23 4.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -65.77 -46.45 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.451 HD22 ' CE ' ' A' ' 89' ' ' MET . 4.0 tp -51.01 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -53.52 -55.19 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' ASN . 10.4 t -35.42 -43.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.01 -50.81 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.6 mt -40.95 -55.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 98' ' ' ASN . 56.4 mt-10 -57.62 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 97' ' ' GLU . 7.7 t-20 -36.13 -42.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.4 mt -81.32 -45.85 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -41.77 -42.29 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.9 t -81.07 -31.86 34.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t -57.64 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 p -128.81 157.23 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 67.3 m -82.52 163.66 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -54.32 -44.49 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.97 -31.62 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -61.78 -20.97 64.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.5 m0 -73.92 119.79 77.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 121.43 8.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -57.34 118.48 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -121.22 177.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -129.32 141.39 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 35.6 ttm -95.17 104.06 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.433 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 32.6 t30 -93.84 96.27 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.38 101.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.58 140.84 41.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 t70 51.17 40.96 27.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 57.99 44.8 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.9 m -140.1 119.16 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.5 t -87.97 111.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -121.85 113.89 20.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.8 t -81.46 94.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.15 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.3 t -59.87 154.01 19.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -51.56 -57.47 9.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -70.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -51.64 118.27 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -104.22 38.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 38.4 tp10 -95.82 -40.69 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 130' ' ' GLU . 7.1 p 43.11 46.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -36.25 -39.19 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.4 t -146.66 129.43 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -114.09 104.4 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.4 t -118.85 146.54 44.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -119.6 122.4 41.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.7 t -40.1 -49.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -50.43 -41.04 51.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -73.56 -31.12 63.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.413 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.3 tt -51.47 123.12 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -92.99 -53.14 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -150.38 151.08 32.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.66 160.03 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.94 -168.26 34.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.6 m -121.78 150.68 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.407 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -79.8 -167.6 35.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -48.53 -33.4 9.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 149' ' ' VAL . 4.3 m-20 -116.46 112.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 148' ' ' ASP . 35.9 m -35.97 -40.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -40.84 -47.92 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.7 p -75.89 126.82 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -125.65 119.86 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -129.61 162.35 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.2 p90 -151.82 142.94 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 65.4 mt -97.53 132.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -134.93 169.68 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -112.87 133.14 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 53.7 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.884 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.898 0.38 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.45 122.12 27.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -111.01 149.1 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.5 t -122.88 105.65 10.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 99.9 m-70 -92.39 125.89 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 5.3 t -103.36 154.03 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -153.91 144.34 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -95.65 127.18 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 69.7 m -115.67 151.74 34.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 35.0 mt-10 -142.45 139.21 17.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.8 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.314 0.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -124.11 157.63 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 41.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -87.07 -42.83 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -74.88 -25.73 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 61.5 t -83.71 -44.83 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.6 p -66.15 -37.01 84.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -73.42 -35.47 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -68.04 -47.95 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.9 p -66.58 -40.75 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -66.06 -35.43 80.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.07 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . 0.408 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . 87.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 17' ' ' HIS . 1.4 t60 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.783 0.325 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.2 mt -66.79 -38.3 86.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -49.05 -43.84 41.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -61.06 -51.63 68.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.3 mmt -46.42 -21.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.435 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 83.9 mt-30 -95.56 -35.91 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -53.02 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -121.56 -40.68 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -163.43 12.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -144.14 112.48 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -97.84 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.918 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -119.39 128.33 53.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -118.42 112.2 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -106.42 162.42 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -100.53 113.05 25.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.2 m -149.5 164.19 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -106.91 164.25 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.47 108.88 16.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.75 -51.34 50.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.04 -175.87 33.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.472 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -101.22 105.18 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.446 ' N ' ' HE1' ' A' ' 80' ' ' MET . 0.9 OUTLIER -113.33 119.36 42.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.8 144.99 55.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -114.27 165.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -94.64 -26.36 16.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -125.74 145.26 50.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -18.94 36.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.746 2.297 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 142' ' ' PHE . 27.1 m -145.7 177.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.96 146.56 14.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.4 mmt -78.8 -53.9 6.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -51.73 -20.72 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.5 m -88.76 -48.42 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.93 -56.54 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' SER . 6.6 m-80 -47.76 -52.49 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 93' ' ' ASN . 23.2 t -38.42 -42.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -62.15 -58.79 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 95' ' ' ALA . 77.0 mt -35.95 -62.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.26 -48.54 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -42.65 -60.37 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.04 -43.56 91.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 mtt -46.1 -44.22 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -80.62 -21.61 41.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.3 m -72.59 -39.87 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.75 179.66 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.7 m -104.57 163.09 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.34 -41.92 73.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.26 -35.99 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -49.9 -36.4 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -61.86 120.29 55.77 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 134.55 28.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -61.91 114.96 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 132' ' ' LEU . 17.6 m -121.95 176.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -133.62 140.75 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.51 105.27 17.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -93.07 96.61 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.09 113.44 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.16 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.7 t0 62.34 47.36 5.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 56.47 40.09 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -131.16 119.17 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.92 99.51 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.1 m -113.76 114.56 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.36 104.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 6.8 mm -100.61 135.92 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -53.34 157.05 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -97.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.54 125.51 22.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -93.07 -26.6 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -102.14 26.52 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.6 tp10 -85.66 -30.48 23.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 130' ' ' GLU . 8.6 p 33.5 49.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.435 ' CD1' HG12 ' A' ' 111' ' ' VAL . 78.8 mt -36.08 -41.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.72 140.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -123.48 103.21 8.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.1 t -117.7 151.03 38.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 137' ' ' VAL . 84.3 mtt180 -129.15 121.19 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 136' ' ' ARG . 83.9 t -35.43 -53.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 138' ' ' ARG . 14.0 mtp-105 -39.23 -45.65 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.4 -41.14 63.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.3 tt -39.92 113.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.9 p -89.84 -48.03 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.451 ' HB2' ' CG1' ' A' ' 87' ' ' VAL . 38.7 t80 -148.74 147.27 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -145.57 146.31 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.04 -179.82 39.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.435 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 6.5 m -115.94 150.06 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.167 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -82.77 -178.13 52.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 146' ' ' GLY . 48.9 mtpt -35.71 -46.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.29 113.2 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 150' ' ' HIS . 35.1 m -38.6 -44.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 149' ' ' VAL . 79.3 m80 -35.22 -42.77 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 65.1 p -82.09 133.25 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -134.03 113.95 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -126.85 156.65 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -146.25 146.23 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.7 mt -100.62 121.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.2 ptm -121.31 165.5 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -104.53 120.72 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -133.91 118.24 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . 0.434 ' CD ' ' SD ' ' A' ' 80' ' ' MET . 56.6 mt-10 -113.11 146.95 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.2 t -118.61 114.96 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 168' ' ' PHE . 95.9 m-70 -104.89 107.62 18.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 30.1 t -87.52 151.45 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 76.1 m-85 -151.23 142.1 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -94.21 130.25 40.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.8 m -115.06 152.0 33.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 31.1 mt-10 -140.43 134.94 15.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.82 -48.16 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.33 0.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -120.48 179.88 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.47 34.06 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -81.8 -47.85 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -68.74 -30.02 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.26 -49.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.8 p -57.23 -37.98 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 180' ' ' ALA . 9.3 pt-20 -76.46 -38.2 55.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 179' ' ' GLU . . . -59.29 -44.99 92.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 182' ' ' GLN . 14.8 p -75.4 -42.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.447 ' N ' HG11 ' A' ' 181' ' ' VAL . 23.5 tt0 -51.94 -54.9 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.34 -49.51 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -43.55 -46.43 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.72 -49.83 76.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -38.82 -51.72 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -57.11 -44.38 83.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.6 mtt -59.15 -30.4 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.444 ' HG2' ' CG2' ' A' ' 145' ' ' VAL . 53.7 mt-30 -83.81 -32.66 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -60.38 -63.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.73 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -165.54 14.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -130.67 105.79 8.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -89.68 140.92 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.732 0.301 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.28 134.47 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -123.95 115.15 20.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.68 154.07 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.93 114.7 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -150.7 159.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -101.14 161.13 13.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -113.91 99.97 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 6.7 mp -55.38 -55.27 33.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.17 -170.9 37.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.1 ttp -103.06 131.14 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -142.15 116.63 6.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.438 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.72 150.78 68.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.83 154.07 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.28 -31.31 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -123.15 145.03 44.96 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.746 . . . . 0.0 110.812 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -20.67 34.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.43 169.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.7 125.85 4.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.5 mmt -59.01 -60.2 4.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -43.91 -40.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.7 m -66.59 -52.57 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.12 -57.91 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -47.3 -52.98 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -38.75 -49.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.67 71.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 82.2 mt -46.73 -57.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.97 -39.36 85.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.78 -54.35 29.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.95 -42.88 69.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.5 mtt -45.64 -42.83 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.0 t -80.61 -21.5 41.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.8 t -74.96 -49.19 20.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.4 m -121.55 171.83 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.5 m -97.66 163.21 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 17.9 tttm -56.01 -39.06 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -78.31 -42.32 31.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -45.0 -41.43 7.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.514 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 5.6 m0 -55.32 123.36 48.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.494 0.664 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 134.6 28.37 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 m -70.97 107.48 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.08 175.1 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -125.4 134.36 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.9 tpp -86.35 104.44 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -89.65 97.31 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.45 102.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.39 147.25 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.5 t0 43.31 50.5 5.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.44 44.96 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -136.21 111.59 9.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.69 112.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.0 m -128.27 129.45 46.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.7 100.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 22.6 mm -100.28 130.1 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -51.02 147.98 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -51.2 -59.29 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -75.8 -72.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -54.82 143.91 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -111.84 -21.05 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.468 ' CD ' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -107.18 34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.432 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 7.2 tp10 -95.65 -39.87 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.6 p 42.01 48.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 131' ' ' VAL . 89.2 mt -34.42 -44.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 134' ' ' GLU . 84.5 t -137.95 141.9 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.433 ' N ' HG13 ' A' ' 133' ' ' VAL . 25.4 tt0 -127.09 113.11 15.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 t -134.67 149.23 50.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 137' ' ' VAL . 54.7 mtt85 -118.24 127.28 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 136' ' ' ARG . 86.5 t -37.51 -57.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 138' ' ' ARG . 10.9 mtp-105 -40.45 -51.43 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.1 -39.9 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.97 110.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.0 p -79.3 -53.84 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 143' ' ' MET . 33.4 t80 -154.0 157.18 38.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' MET . . . . . 0.424 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.9 OUTLIER -153.1 159.27 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.55 -174.2 39.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.444 ' CG2' ' HG2' ' A' ' 22' ' ' GLN . 34.6 m -115.25 157.26 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -89.45 177.99 44.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 146' ' ' GLY . 55.0 mmtt -34.99 -41.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -107.05 113.96 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.1 m -38.08 -42.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 60.7 m80 -40.82 -46.65 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.502 HG22 ' CZ3' ' A' ' 169' ' ' TRP . 81.7 p -78.52 126.34 30.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -127.37 122.15 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -127.91 162.02 27.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.419 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.3 p90 -153.57 143.44 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 74.9 mt -96.27 130.99 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' MET . . . . . 0.413 ' SD ' ' CG2' ' A' ' 158' ' ' THR . 3.1 ppp? -126.04 156.21 40.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.81 138.38 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.413 ' CG2' ' SD ' ' A' ' 156' ' ' MET . 37.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -136.93 121.85 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . 0.432 ' OE2' ' CE1' ' A' ' 166' ' ' HIS . 14.6 tt0 -108.72 147.54 31.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.0 t -121.14 127.78 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.432 ' CE1' ' OE2' ' A' ' 164' ' ' GLU . 98.2 m-70 -116.27 110.66 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 11.9 t -88.02 154.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -150.65 162.04 41.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.502 ' CZ3' HG22 ' A' ' 151' ' ' THR . 40.3 t-105 -114.79 140.65 48.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 75.1 m -121.29 155.29 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 85.3 mt-10 -142.23 130.19 11.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.7 -48.56 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.368 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -123.15 161.19 24.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -85.31 37.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -87.15 -31.39 20.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -84.16 -30.47 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 76.3 t -82.17 -48.13 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.7 m -56.68 -38.91 72.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.49 -30.25 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.35 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.47 -32.25 55.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.83 -46.44 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.3 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.792 0.329 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD11 ' ND2' ' A' ' 173' ' ' ASN . 18.5 mt -59.83 -57.67 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' LEU . 43.4 m -37.88 -44.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -48.08 -58.25 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -45.4 -38.66 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -72.67 -39.12 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -53.69 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -125.85 -45.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.41 -157.25 15.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.539 ' CD1' ' HE1' ' A' ' 143' ' ' MET . 23.9 t80 -139.98 105.49 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 0.0 110.937 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -92.42 153.4 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 58.6 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -112.02 134.43 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -120.37 122.65 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.64 150.82 37.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.67 114.22 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.15 -178.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 46.8 mt-30 -113.04 163.61 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -122.21 102.95 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.469 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 6.5 mp -68.42 -38.61 81.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.58 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.547 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 6.0 ttp -94.42 124.54 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.92 120.12 24.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 142.74 48.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.37 161.82 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -85.01 -34.55 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -124.04 150.62 63.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -18.88 36.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.6 m -142.98 170.05 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.89 128.92 3.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.29 -57.84 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.21 -53.23 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.2 m -51.47 -44.2 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.44 -52.1 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.42 -47.37 81.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -39.54 -49.1 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' ASN . . . -62.14 -58.22 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -42.41 -45.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.38 -30.37 66.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' ALA . 10.9 t-20 -65.84 -44.01 86.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.3 mt -82.23 -33.96 29.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.8 t -75.78 -23.65 55.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -65.25 -53.75 39.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 p -124.18 -177.95 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 75.4 m -100.87 166.79 10.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.471 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 33.7 tttm -59.36 -42.9 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -71.5 -42.9 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.47 -34.86 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 10.5 m0 -59.18 121.01 52.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 130.56 19.62 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.2 p -60.51 120.23 9.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.8 m -128.25 168.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -122.87 136.05 54.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 37.3 ttm -89.39 100.08 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 35.0 t-20 -86.14 96.5 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.4 t -100.13 105.46 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.48 140.51 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.5 t0 54.58 43.02 30.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 54.76 40.28 31.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 49.7 m -134.7 119.08 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 135' ' ' CYS . 77.6 t -91.25 106.84 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 123' ' ' ILE . 33.9 m -120.78 124.48 45.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.3 t -89.62 98.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 14.1 mm -94.32 137.11 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.8 t -53.52 158.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.42 -47.81 18.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -95.4 28.98 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.72 166.24 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 13.6 tt0 -129.13 -34.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.86 31.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.433 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 4.9 tp10 -96.65 -41.04 8.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.1 p 38.0 47.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 131' ' ' VAL . 80.4 mt -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 77.0 t -137.79 134.98 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.62 106.75 12.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' VAL . 42.1 t -123.55 139.89 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -116.8 125.21 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 99.3 t -39.73 -51.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -42.04 -41.88 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -78.32 -35.74 47.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.425 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 tt -45.54 115.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.4 p -85.96 -51.12 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -151.35 142.63 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' MET . . . . . 0.539 ' HE1' ' CD1' ' A' ' 26' ' ' TYR . 3.2 ptt? -138.4 144.11 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -161.89 -157.75 9.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.88 176.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -112.71 -169.24 17.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.6 mtpp -35.0 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.58 120.9 41.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 27.6 m -44.17 -27.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -53.43 -43.55 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 58.4 p -80.09 124.43 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.4 115.14 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.86 152.56 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.89 144.3 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 65.7 mt -98.59 115.87 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -118.96 171.71 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.406 ' C ' ' SD ' ' A' ' 156' ' ' MET . 0.5 OUTLIER -114.02 120.25 39.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -130.8 117.27 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -109.5 154.65 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.61 120.77 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.5 m-70 -105.41 120.07 40.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . 0.415 ' CG1' HD13 ' A' ' 78' ' ' LEU . 45.9 t -96.66 137.63 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 82.6 m-85 -141.18 127.97 20.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -83.98 130.32 34.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 71.4 m -110.66 157.51 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.496 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 9.2 mm-40 -144.12 130.17 9.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.72 -48.76 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.306 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . 0.429 ' ND2' HD11 ' A' ' 18' ' ' LEU . 45.1 p30 -119.06 173.79 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.47 35.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -58.34 -43.27 88.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.49 -61.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 58.1 m -55.55 -26.98 46.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -77.36 -48.71 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -54.92 -53.98 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.94 -44.62 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -51.04 -50.69 58.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -56.17 -38.12 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.91 67.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.62 -32.96 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -52.98 -56.23 17.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -47.16 -48.92 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 mtt -53.99 -35.39 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -75.86 -41.8 51.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -52.99 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -124.52 -47.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.71 -166.13 12.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -123.38 106.74 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.938 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -95.05 148.41 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.824 0.345 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -100.58 128.51 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -123.98 116.59 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.07 155.37 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.59 126.41 44.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.3 m -154.04 173.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 37.7 mt-30 -109.45 153.81 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -111.63 101.99 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.2 mp -65.24 -43.1 92.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 142.83 174.44 15.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.521 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 15.1 ttp -93.14 130.24 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.7 121.26 23.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 134.79 28.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.65 164.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.57 -23.24 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -120.5 144.09 37.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 54.0 Cg_endo -69.68 -24.77 29.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -142.51 177.53 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.95 10.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -78.29 -57.25 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.51 -21.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.7 m -88.69 -48.52 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.36 -44.58 94.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -61.58 -55.49 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -40.57 -45.27 2.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.1 -50.93 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.0 mt -46.54 -62.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.28 -43.88 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -48.48 -52.17 23.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.8 mt -70.5 -40.72 73.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.3 mtt -51.78 -45.66 63.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -19.56 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.2 t -71.46 -45.45 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -135.52 178.02 7.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.432 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 1.2 m -98.53 166.07 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.1 tttm -59.9 -30.37 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -78.42 -37.05 44.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.03 -33.47 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.475 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 5.3 m0 -63.93 117.22 33.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.526 0.679 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 126.34 13.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.4 m -62.73 111.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 m -112.63 -176.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -131.07 138.76 49.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 21.3 ttm -93.3 110.24 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 114' ' ' ASN . 28.5 t-20 -93.88 97.17 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.38 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.19 142.92 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.8 t0 52.01 38.4 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 55.94 40.2 30.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 16.9 m -131.77 117.6 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.73 107.71 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.6 m -124.53 125.15 43.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.4 t -89.68 101.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.3 mm -96.6 139.44 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -58.83 153.78 16.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.44 -48.98 53.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 19.0 pttm -79.31 -50.5 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 50.2 m-20 -88.3 146.85 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -105.18 -32.34 8.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.15 40.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -100.24 -33.2 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 130' ' ' GLU . 10.9 p 34.13 48.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' A' ' 130' ' ' GLU . 88.1 mt -34.51 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 134' ' ' GLU . 74.2 t -143.68 138.93 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.429 ' N ' HG12 ' A' ' 133' ' ' VAL . 7.8 tt0 -122.61 110.58 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.47 152.29 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -128.29 128.79 45.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.9 t -40.34 -46.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -50.71 -41.22 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' A' ' 157' ' ' ASP . 8.9 m-85 -76.68 -36.54 57.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.1 tt -45.36 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.4 p -72.28 -46.18 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -154.67 155.55 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -151.19 155.08 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -170.14 -168.81 32.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.48 165.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -95.44 178.06 35.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 146' ' ' GLY . 16.8 ptmt -36.71 -36.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.19 120.73 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 14.5 m -45.61 -30.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 70.3 m80 -52.84 -38.65 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.569 HG21 ' CE3' ' A' ' 169' ' ' TRP . 54.9 p -86.64 134.62 33.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -136.12 115.82 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -121.78 159.26 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.421 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.6 p90 -147.31 145.59 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 91.0 mt -101.03 133.55 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -130.79 164.48 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' A' ' 139' ' ' PHE . 5.2 p-10 -105.74 123.07 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 9.6 m-85 -137.82 134.75 35.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -120.01 150.12 41.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.1 t -117.46 109.99 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 96.8 m-70 -96.79 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.6 t -96.82 136.16 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 54.5 m-85 -136.22 153.87 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.569 ' CE3' HG21 ' A' ' 151' ' ' THR . 29.6 t-105 -103.4 129.61 50.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 83.7 m -114.93 152.07 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.546 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 29.1 mt-10 -142.72 139.63 17.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.348 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -121.91 161.58 22.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.85 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -69.9 -46.35 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.07 -43.47 71.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.2 -61.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.0 p -54.88 -17.28 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.13 -46.43 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.69 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -80.4 -36.81 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -60.45 -46.09 91.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.71 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -55.09 -46.87 75.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -55.1 -45.02 75.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.6 t -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -54.36 -54.72 36.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.5 mmt -45.02 -37.66 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -79.78 -41.17 27.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -50.77 -58.13 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -130.02 -45.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.31 -167.8 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.422 ' CD2' ' NE2' ' A' ' 182' ' ' GLN . 26.0 t80 -134.88 114.76 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.952 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -103.22 155.14 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.93 126.19 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -116.96 120.85 39.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.24 159.74 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -102.09 121.42 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -154.58 173.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -111.63 160.3 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CD1' ' CE1' ' A' ' 168' ' ' PHE . 14.3 t80 -120.03 103.62 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mp -65.43 -49.62 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.69 167.29 14.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.55 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 14.4 ttp -78.38 124.91 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.5 117.27 21.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 149.87 67.31 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 m -127.7 158.58 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.09 -36.77 34.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -119.81 149.85 49.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.71 37.52 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.403 HG11 ' CB ' ' A' ' 142' ' ' PHE . 18.5 m -145.41 173.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.88 117.36 3.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -56.08 -55.46 32.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.2 -35.13 3.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -77.16 -50.61 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.42 -53.78 54.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -55.72 -35.34 66.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -65.56 -45.99 81.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.55 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.434 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 90.5 mt -55.9 -53.36 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -60.71 -42.37 97.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -45.98 -36.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 32.2 mt -86.85 -48.49 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.67 -34.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -87.02 -39.91 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.9 p -58.73 -34.06 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -140.75 154.89 46.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.455 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 40.4 m -84.44 159.59 20.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.541 ' HA ' ' CH2' ' A' ' 108' ' ' TRP . 79.4 tttt -49.83 -45.21 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -71.89 -44.84 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.92 -39.76 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.541 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 2.8 m0 -58.77 119.96 41.72 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.553 0.692 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.77 13.72 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.1 m -59.79 117.26 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.38 178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -131.23 141.21 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.0 tpp -93.99 107.65 19.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -94.55 98.38 10.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 84.7 t -103.73 110.71 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.37 133.93 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 t0 56.07 44.02 26.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 56.68 42.11 27.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -134.44 113.97 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -92.01 102.41 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 28.8 m -117.6 119.72 35.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.9 97.82 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.2 mm -93.52 133.32 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -58.52 147.73 30.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.1 -55.17 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -69.78 -63.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -78.52 138.38 38.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -97.66 -35.14 10.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.07 41.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -99.55 -32.48 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 130' ' ' GLU . 7.7 p 35.31 48.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' VAL . 71.5 mt -35.55 -44.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.6 t -137.89 140.51 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -125.75 109.21 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 42.5 t -128.27 150.62 49.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 137' ' ' VAL . 50.4 mtt85 -125.83 121.63 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 136' ' ' ARG . 57.9 t -34.43 -46.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -46.36 -49.38 17.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -71.14 -36.88 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.7 tt -39.12 118.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 77.6 p -88.41 -50.66 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.404 ' CG ' ' N ' ' A' ' 143' ' ' MET . 35.2 t80 -151.75 155.82 39.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 3.5 ptp -145.76 144.88 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -167.53 171.87 42.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.3 m -107.32 157.24 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -89.22 -177.95 45.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.6 OUTLIER -35.92 -44.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.67 119.13 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.04 -23.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -60.02 -40.42 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 45.6 p -80.88 129.32 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -135.54 114.46 12.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.46 167.98 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -150.79 140.03 21.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.25 121.04 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 8.9 ptm -118.8 167.27 11.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -106.15 105.51 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.4 mpt_? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.28 124.84 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -116.83 147.1 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 51.8 t -115.05 106.48 14.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.1 m-70 -97.0 107.6 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.16 148.29 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 84.0 m-85 -148.85 136.29 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -89.06 139.65 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 69.8 m -121.62 161.68 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 18.4 mt-10 -149.77 131.73 7.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.74 . . . . 0.0 110.934 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.9 Cg_endo -69.77 -49.43 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.366 0.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -120.5 172.21 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.55 40.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -83.92 -56.72 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -61.55 -39.99 93.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.93 -59.9 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.9 m -55.8 -42.41 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.94 -50.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.54 -60.14 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.98 -42.56 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.422 ' NE2' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -47.11 -44.72 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.82 -46.84 86.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -51.66 -44.61 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.6 t60 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' MET . 59.2 mt -61.16 -63.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' LEU . 16.2 p -35.87 -41.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -61.33 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.2 mmt -50.18 -21.77 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -95.93 -33.57 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.17 -73.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' ND2' ' N ' ' A' ' 24' ' ' ASN . 0.7 OUTLIER -106.77 -37.55 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.34 -174.24 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -117.65 96.69 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -89.71 142.72 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.885 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 116' ' ' ALA . 3.0 p . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.8 0.333 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.468 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 27.2 mt-30 -116.03 147.44 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -129.93 119.31 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 26.6 m-85 -119.27 158.43 26.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' C ' HG13 ' A' ' 75' ' ' VAL . 1.5 tmm_? -99.2 121.24 40.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.406 HG13 ' C ' ' A' ' 74' ' ' ARG . 27.6 m -147.73 177.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -117.44 154.56 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CD1' ' CE2' ' A' ' 168' ' ' PHE . 11.0 t80 -110.32 107.03 16.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.3 mp -70.42 -37.66 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.62 -172.05 22.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.553 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 9.1 tmm? -104.96 129.76 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 82' ' ' PRO . 1.4 tm? -126.55 123.67 24.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.58 0.705 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.415 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.78 137.58 35.74 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -119.34 178.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -113.49 -24.19 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -119.53 144.63 37.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -21.97 33.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 m -144.83 176.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.81 139.49 5.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -72.68 -53.75 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -55.95 -44.39 78.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.3 m -60.5 -55.77 29.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.6 tt -57.5 -50.28 73.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -62.32 -36.94 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.6 t -51.93 -37.11 51.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.71 -46.91 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 91.7 mt -40.67 -58.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.84 -47.14 85.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -47.31 -47.71 25.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' SER . 58.7 mt -74.91 -48.54 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 mtt -44.0 -39.27 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -80.49 -25.0 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' LEU . 32.5 t -69.24 -39.48 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -135.1 160.43 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.485 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.2 t -79.6 173.28 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -71.94 -12.83 61.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -95.82 -37.81 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.39 -24.89 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.486 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 8.8 m0 -71.24 116.11 43.62 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.95 22.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.733 2.289 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.4 m -66.98 104.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 m -107.29 167.26 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -115.97 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 22.5 tpp -87.39 113.33 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.423 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 16.8 t-20 -98.96 98.28 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.78 99.04 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.452 ' HB2' ' CG2' ' A' ' 70' ' ' VAL . . . -139.25 132.31 29.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 t70 55.2 37.45 28.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 64.03 36.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 50.3 m -126.59 114.78 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.99 96.4 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.1 m -109.56 110.88 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.464 HG23 ' CE2' ' A' ' 168' ' ' PHE . 93.4 t -77.46 91.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.7 mm -88.35 142.13 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -62.73 160.39 14.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.38 -28.09 27.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -98.49 4.58 48.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -148.43 163.64 36.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.94 -13.35 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.45 16.03 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' VAL . 10.9 tp10 -77.5 -31.09 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.4 p 34.1 47.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' VAL . 75.5 mt -35.55 -43.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 134' ' ' GLU . 67.6 t -142.29 135.04 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.44 ' N ' HG12 ' A' ' 133' ' ' VAL . 34.1 tt0 -115.31 99.71 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -114.43 149.11 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.538 ' HB2' ' CE1' ' A' ' 139' ' ' PHE . 25.6 mtp180 -136.42 147.45 47.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 5.4 t -72.24 -2.14 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -75.23 -35.31 61.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 136' ' ' ARG . 34.4 p90 -120.49 23.64 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.6 tt -78.71 85.23 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.6 p -39.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -151.03 152.27 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -134.66 149.8 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.8 167.72 40.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.1 m -101.77 165.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.11 -173.47 40.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -39.99 -37.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -110.85 127.15 55.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 22.6 m -49.39 -19.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.514 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 26.0 m80 -63.84 -37.68 88.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.4 p -83.92 127.36 33.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -133.47 115.21 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.2 173.7 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.5 p90 -164.17 145.06 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 156' ' ' MET . 66.3 mt -99.74 138.7 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' MET . . . . . 0.455 ' N ' HG21 ' A' ' 155' ' ' ILE . 7.8 ptm -149.07 156.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.14 136.6 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -126.91 122.89 35.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -107.13 169.35 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.85 100.12 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 97.7 m-70 -93.93 124.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 15.2 t -105.98 154.68 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.464 ' CE2' HG23 ' A' ' 122' ' ' VAL . 89.3 m-85 -155.14 143.58 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.514 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 30.3 t-105 -99.76 130.78 46.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.4 m -114.03 163.04 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 61.6 mt-10 -150.7 136.95 10.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.76 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.321 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -125.52 159.41 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -83.25 36.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.81 -44.97 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -74.08 -46.12 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.11 -60.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.8 p -51.92 -39.28 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.4 -44.48 95.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.21 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.02 -37.36 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -61.06 -49.04 78.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.08 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.15 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.0 mt -77.25 -42.16 38.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 m -39.9 -55.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -53.96 -53.24 55.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.5 mmt -47.69 -22.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -95.96 -38.46 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.34 -64.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -124.09 -40.73 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.95 -154.24 16.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 182' ' ' GLN . 33.1 t80 -140.22 107.33 5.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -89.31 149.58 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 49.9 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.714 0.292 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -114.69 126.3 54.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -120.71 161.72 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.49 120.31 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.85 -176.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -121.73 160.85 23.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.91 111.96 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.51 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.8 mp -72.22 -43.66 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.03 -175.99 28.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.417 ' HG2' ' CD ' ' A' ' 164' ' ' GLU . 11.7 ttp -99.4 118.99 37.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.38 114.9 18.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 161.51 45.66 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.16 164.86 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -89.58 -31.22 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.72 152.5 77.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -20.4 34.72 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.3 m -139.53 176.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.02 125.07 4.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -59.68 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -44.66 -36.37 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.7 m -73.71 -53.39 10.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.8 -52.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' SER . 25.7 m-20 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 47.2 t -36.74 -45.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -61.1 -56.87 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' ALA . 69.2 mt -36.37 -53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -44.61 -53.65 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 54.6 mt -69.87 -42.32 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.7 mmt -46.25 -51.73 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -78.25 -19.33 53.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -62.6 -48.3 80.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -136.31 179.02 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.3 m -95.85 166.69 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.566 ' HD2' ' CZ3' ' A' ' 108' ' ' TRP . 17.6 tptp -61.87 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -73.29 -29.15 62.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -67.09 -21.01 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ3' ' HD2' ' A' ' 105' ' ' LYS . 13.7 m0 -78.7 115.49 52.23 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.56 0.695 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.98 46.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.9 m -70.49 131.49 44.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.61 162.83 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -115.72 130.19 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 27.8 tpp -85.71 106.5 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -95.33 97.64 9.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.22 103.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.31 141.04 35.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 49.75 41.8 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 137' ' ' VAL . . . 59.26 36.8 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.4 m -128.4 119.75 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.47 102.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -116.69 117.75 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 65.2 t -86.26 106.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.4 mm -99.64 143.57 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -79.36 148.68 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -41.58 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -59.87 -59.25 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -122.65 145.65 48.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.451 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 1.8 mp0 -88.55 -20.39 25.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -95.01 36.13 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 131' ' ' VAL . 21.0 tp10 -104.22 -30.7 10.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.2 p 35.08 52.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' VAL . 74.1 mt -36.65 -43.23 0.4 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.9 t -142.81 134.73 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -121.03 103.48 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -120.09 140.16 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -116.72 123.59 47.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 118' ' ' ALA . 60.2 t -42.92 -43.15 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -49.2 -45.63 44.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.06 -34.78 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.428 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.0 tt -46.54 125.94 7.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.7 p -95.59 -59.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -144.72 153.67 41.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -153.78 163.91 39.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.04 -167.15 35.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 17.4 m -119.62 156.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -90.14 178.13 43.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.7 OUTLIER -34.59 -42.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -103.79 115.33 30.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.0 m -42.47 -37.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -45.65 -41.08 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 35.9 p -78.27 135.79 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.09 117.04 11.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -130.18 165.1 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -152.07 145.18 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 72.6 mt -95.78 124.84 48.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.1 ptm -125.88 166.51 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 123.78 50.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.428 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 3.4 mmp_? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -137.49 117.24 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . 0.455 ' OE1' ' CE1' ' A' ' 166' ' ' HIS . 4.1 tm-20 -106.98 156.35 18.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 164' ' ' GLU . 4.6 t -125.04 125.33 43.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.455 ' CE1' ' OE1' ' A' ' 164' ' ' GLU . 97.4 m-70 -113.74 113.06 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 168' ' ' PHE . 24.8 t -90.19 149.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.418 ' N ' HG11 ' A' ' 167' ' ' VAL . 89.0 m-85 -147.43 138.3 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.474 ' CE2' ' HE2' ' A' ' 105' ' ' LYS . 51.1 t-105 -91.35 134.08 34.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 75.8 m -111.11 150.16 29.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.7 mt-10 -137.47 127.34 15.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -49.96 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.307 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 35.5 p-10 -123.1 169.52 11.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.46 36.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -69.53 -45.99 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -79.92 -54.52 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 86.1 t -43.31 -62.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.2 t -60.71 -28.96 69.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.31 -29.18 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -73.27 -52.24 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.55 -35.62 73.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.551 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 33.4 tt0 -57.49 -47.6 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -45.82 -41.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' MET . 13.7 mt -57.38 -52.83 63.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' LEU . 64.8 m -35.13 -49.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -56.69 -46.6 81.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 mtt -53.94 -38.92 65.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -68.37 -41.18 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -49.59 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -130.04 -41.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.77 177.12 18.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -130.68 95.74 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -72.61 176.98 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.916 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.431 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 37.2 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' CG2' ' OD1' ' A' ' 114' ' ' ASN . 3.2 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.805 0.336 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -107.52 142.55 37.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -132.64 109.9 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.68 152.4 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.464 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 3.1 tmt_? -92.21 128.59 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 28.4 m -160.31 175.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -120.28 152.62 37.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -103.74 117.95 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.03 -57.5 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.16 -171.02 42.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.48 ' HE1' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -109.42 100.28 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.48 ' N ' ' HE1' ' A' ' 80' ' ' MET . 0.3 OUTLIER -106.01 122.58 41.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.471 ' N ' ' HE3' ' A' ' 80' ' ' MET . 53.9 Cg_endo -69.74 156.59 63.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.4 m -128.29 153.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -85.42 -30.61 23.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -124.46 150.48 64.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.08 30.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.8 m -140.71 164.98 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.62 121.26 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmt -53.97 -57.92 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.319 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.38 -46.78 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.2 m -61.16 -43.77 98.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.95 -54.62 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.33 -53.44 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -38.55 -46.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.7 -55.12 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 59.9 mt -38.23 -68.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.97 -52.67 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.98 -42.37 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.1 mt -80.92 -40.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 12.1 mtp -49.68 -45.72 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 t -77.69 -29.66 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.1 m -61.27 -51.93 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -118.82 177.82 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -101.85 156.8 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 66.2 tttt -52.41 -45.28 65.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -43.73 -39.48 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.437 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 9.2 m0 -56.08 123.07 52.03 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 140.68 43.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.353 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.5 p -67.36 119.46 12.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.6 m -131.13 173.28 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -131.87 152.83 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.1 ttm -101.13 104.2 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 31.4 t-20 -90.39 97.05 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.3 110.1 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.93 126.86 10.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.1 t0 62.65 37.35 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.448 ' CA ' HG21 ' A' ' 137' ' ' VAL . . . 62.0 43.16 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -132.3 115.53 15.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.9 t -90.1 101.13 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.7 m -116.77 119.22 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 62.3 t -85.62 105.25 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.3 mm -103.23 129.88 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -53.26 139.34 29.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -65.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -69.98 -71.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -58.44 131.04 49.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.86 -28.1 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -102.48 40.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.413 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 7.2 tp10 -98.66 -38.43 9.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.6 p 40.67 47.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.413 ' HG ' ' CG ' ' A' ' 130' ' ' GLU . 67.9 mt -37.39 -47.42 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.6 t -134.47 139.33 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -125.06 105.09 8.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.9 t -124.04 151.99 43.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 139' ' ' PHE . 27.1 mtp180 -127.74 128.4 45.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.448 HG21 ' CA ' ' A' ' 118' ' ' ALA . 90.9 t -37.47 -47.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -51.39 -43.37 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 22.5 m-85 -74.66 -32.84 62.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 tt -43.06 137.41 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 80.5 p -108.6 -41.95 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.565 ' CG ' ' N ' ' A' ' 143' ' ' MET . 15.0 t80 -155.0 165.12 37.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' MET . . . . . 0.565 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 4.5 ptp -159.11 152.14 22.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -178.8 -156.49 17.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.3 m -138.46 155.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -85.21 -178.89 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.8 mtmm -35.36 -42.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.3 121.7 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 26.3 m -44.22 -26.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 76.4 m80 -53.95 -41.74 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 76.2 p -84.78 124.71 31.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -128.72 116.88 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -122.86 166.25 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 20.9 p90 -151.24 137.27 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 74.2 mt -96.45 124.93 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.7 ptm -122.17 166.88 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.18 115.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 68.1 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.88 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.901 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -107.75 146.25 32.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 7.9 t -114.31 116.54 29.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 168' ' ' PHE . 93.3 m-70 -109.1 109.72 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 17.9 t -89.58 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 95.3 m-85 -143.93 136.97 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -86.19 136.34 33.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.78 148.6 45.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 23.4 mm-40 -139.92 134.13 15.73 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.7 -48.32 0.27 Allowed 'Cis proline' 0 C--N 1.34 0.117 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.347 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -118.13 176.99 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -104.33 38.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -83.23 -61.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -54.18 -40.01 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.5 t -68.51 -50.93 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.5 m -58.58 -55.0 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -58.23 -38.18 76.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -59.28 -60.31 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 182' ' ' GLN . 14.7 p -61.05 -40.84 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.411 ' N ' HG12 ' A' ' 181' ' ' VAL . 11.8 tt0 -58.51 -50.69 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.49 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.27 98.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 99.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.27 -51.55 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' GLN . 16.3 m -40.36 -51.29 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -40.49 -40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' A' ' 178' ' ' SER . 6.5 mtt -61.33 -39.29 89.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' SER . 94.4 mt-30 -72.31 -27.1 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -60.33 -63.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -124.07 -48.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.59 -176.64 16.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.463 ' CD1' ' HE1' ' A' ' 143' ' ' MET . 31.7 t80 -122.42 102.57 8.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -85.45 158.3 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.839 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.8 0.333 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.435 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 27.0 mt-30 -104.03 119.94 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -107.8 120.33 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 94.7 m-85 -116.97 153.43 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -99.16 118.12 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -150.59 171.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -107.9 162.29 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -118.87 106.52 12.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.455 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.3 mp -69.42 -36.73 76.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.9 -172.88 22.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.521 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.542 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 15.3 ttp -99.58 139.01 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -141.77 117.8 7.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.949 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.445 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.79 147.87 63.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 m -123.86 177.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -107.02 -28.43 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -122.69 146.22 47.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -19.99 35.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.2 m -141.69 167.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.5 124.45 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.9 mmm -59.41 -52.6 64.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.39 -47.46 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.5 m -57.63 -56.93 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 93' ' ' ASN . 7.0 tt -61.47 -62.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.438 ' N ' HD21 ' A' ' 92' ' ' LEU . 15.9 m-20 -43.2 -43.84 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -48.04 -48.93 32.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.33 -46.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.7 mt -46.54 -52.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.75 -35.74 82.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.9 -45.84 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.6 mt -76.87 -39.74 50.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.1 mtt -48.73 -50.39 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 t -72.15 -18.2 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t -70.23 -50.03 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.6 m -127.27 165.93 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.6 m -88.21 157.6 18.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.474 ' HA ' ' CE3' ' A' ' 108' ' ' TRP . 58.8 tttt -49.62 -46.8 49.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.6 -44.99 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.33 -26.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.474 ' CE3' ' HA ' ' A' ' 105' ' ' LYS . 31.0 m0 -66.86 121.33 77.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 122.2 8.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.1 m -63.01 108.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.4 m -111.08 170.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -118.34 141.21 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.8 tpp -96.06 108.65 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -95.61 99.11 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.02 108.89 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.48 134.8 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 t70 56.28 37.37 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 65.44 32.26 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 84.7 m -121.74 120.79 35.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.76 99.66 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.403 HG21 ' CD1' ' A' ' 123' ' ' ILE . 24.5 m -114.86 120.45 40.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -85.16 94.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.2 mm -89.78 136.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.3 t -50.54 168.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.34 -49.61 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -113.55 -59.54 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.83 108.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.445 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 2.1 tp10 -86.49 -13.95 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.73 19.13 20.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.415 ' CG ' HD21 ' A' ' 132' ' ' LEU . 19.1 tp10 -87.83 -42.55 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 132' ' ' LEU . 7.4 p 39.52 48.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -33.44 -39.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 131' ' ' VAL . 53.8 t -146.69 138.49 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -122.61 99.52 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 49.9 t -114.81 150.36 35.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 137' ' ' VAL . 65.0 mtt180 -130.15 119.36 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 136' ' ' ARG . 90.9 t -35.11 -51.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -39.52 -48.74 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.94 -35.67 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 tt -43.9 138.38 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 86.1 p -113.07 -40.13 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 143' ' ' MET . 0.0 OUTLIER -160.44 166.72 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' MET . . . . . 0.682 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 9.7 ptt? -165.5 154.53 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.02 175.62 45.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.96 157.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -89.3 -157.94 33.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -50.29 -53.47 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.71 117.08 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 28.1 m -49.25 -26.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -51.98 -27.95 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 50.1 p -99.51 133.85 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -131.37 121.26 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . 0.401 ' C ' HD13 ' A' ' 92' ' ' LEU . . . -130.94 154.86 47.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -141.41 147.82 38.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.437 HD13 ' CD1' ' A' ' 142' ' ' PHE . 69.3 mt -97.64 115.61 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 14.6 ptm -115.42 162.38 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.06 116.34 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 46.2 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.434 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.2 mpt_? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.13 118.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . 0.434 ' OE2' ' C ' ' A' ' 81' ' ' LEU . 14.3 tp10 -107.3 153.99 21.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.0 t -124.11 125.86 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.542 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 86.6 m-70 -120.05 127.11 52.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 6.2 t -97.0 156.77 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -155.68 132.25 10.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -85.55 139.29 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 85.8 m -125.65 153.9 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.497 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 77.2 mt-10 -144.25 130.81 10.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.74 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.297 0.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -120.41 177.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -95.15 26.58 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -73.71 -58.14 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.22 -22.14 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.4 t -86.64 -55.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' SER . . . . . 0.445 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 7.1 m -54.27 -47.27 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.93 -33.49 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -67.91 -49.79 59.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.38 -33.17 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.418 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 37.0 mt-30 -60.71 -52.59 64.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.64 38.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -44.0 -41.62 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.5 mt -68.45 -45.31 72.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -45.48 -42.71 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -54.09 -54.4 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.4 mmt -46.58 -26.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -92.51 -29.63 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.41 -74.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.41 -36.01 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.84 166.61 25.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE2' ' CG ' ' A' ' 182' ' ' GLN . 29.5 t80 -104.43 92.83 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' CD ' HG13 ' A' ' 87' ' ' VAL . 3.2 mm-40 -77.3 169.34 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' CG2' ' OD1' ' A' ' 114' ' ' ASN . 1.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 15.9 mt-30 -96.87 129.18 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.24 119.38 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 71' ' ' GLN . 36.0 m-85 -125.02 120.66 32.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.479 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 4.1 tpp85 -66.86 139.68 57.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 18.9 m -161.8 -176.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 37.6 mt-30 -126.27 139.31 53.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -100.69 102.91 14.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.508 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.4 mp -65.76 -34.55 78.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.18 173.95 13.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.493 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 7.0 tmm? -86.48 138.22 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.85 114.72 8.62 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 145.52 57.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -127.33 161.67 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.86 -30.53 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -114.99 144.42 32.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -21.17 33.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.415 HG13 ' CD ' ' A' ' 27' ' ' GLU . 35.0 m -141.76 -178.21 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.47 139.52 7.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.77 -42.96 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.53 -24.62 65.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -88.55 -45.89 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.1 -54.42 47.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -54.44 -49.99 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 t -40.9 -49.79 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.96 -57.89 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.0 mt -37.84 -51.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -61.86 -47.7 83.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -44.31 -53.39 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.2 mt -73.54 -49.37 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.0 mtt -40.89 -40.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 102' ' ' SER . 15.4 t -82.03 -28.83 32.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 99' ' ' LEU . 53.3 m -56.3 -53.62 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 p -129.22 -179.19 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 11.2 m -90.48 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 43.1 tttm -54.11 -47.88 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.0 -30.61 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -57.11 -26.61 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.508 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 7.6 m0 -69.77 128.92 91.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 122.0 8.67 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.56 112.04 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.3 m -112.45 166.69 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -110.94 140.46 45.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 45.5 ttm -95.68 99.19 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.419 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 31.3 t30 -86.39 96.31 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.4 t -94.87 103.94 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.52 150.25 38.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.7 t70 40.78 49.46 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 47.87 40.75 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.6 m -133.44 117.07 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 135' ' ' CYS . 78.7 t -84.66 112.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.1 m -121.52 131.85 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.92 94.81 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.9 mm -92.44 134.0 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -55.65 165.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -71.37 -49.15 45.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -82.93 -68.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.3 156.91 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -32.19 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.54 15.34 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 131' ' ' VAL . 7.1 tp10 -73.36 -36.81 66.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 132' ' ' LEU . 7.3 p 35.63 50.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 82.2 mt -34.67 -47.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.4 t -136.42 144.72 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -128.01 98.49 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 120' ' ' VAL . 7.7 t -116.56 140.43 49.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -114.48 128.58 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.0 -35.56 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -58.03 -38.11 75.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -88.54 -10.71 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.88 113.98 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.9 p -77.76 -57.28 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 143' ' ' MET . 4.0 t80 -152.8 149.61 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' MET . . . . . 0.45 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.1 ptt? -137.98 151.16 47.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.8 -169.11 29.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.537 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.83 144.5 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -68.29 -173.47 7.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -47.31 -28.72 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 147' ' ' LYS . 1.5 m-20 -115.5 122.54 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.9 m -44.23 -40.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.513 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 71.0 m80 -44.05 -41.65 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 54.5 p -82.25 128.91 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -134.71 113.9 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -126.29 166.14 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -151.13 148.27 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 76.6 mt -98.47 126.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -128.72 167.79 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.98 141.82 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.441 ' C ' ' OE1' ' A' ' 164' ' ' GLU . 2.7 m-85 -134.4 127.7 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 164' ' ' GLU . 1.6 mp0 -114.09 151.05 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 53.3 t -113.45 123.67 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.493 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 96.6 m-70 -118.68 114.46 22.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.39 147.75 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -148.48 127.43 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.513 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 31.5 t-105 -86.16 132.71 33.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 54.7 m -107.38 156.28 19.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 26.5 mt-10 -143.37 126.98 9.2 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.74 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.69 -50.69 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.745 -1.773 . . . . 0.0 112.338 -0.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -118.85 173.35 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -96.0 33.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.33 -51.54 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -72.16 -39.66 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.47 -61.64 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.6 t -55.91 -28.33 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.36 -50.65 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.27 -53.45 28.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.39 -37.73 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.485 ' CG ' ' CE2' ' A' ' 26' ' ' TYR . 33.9 tt0 -61.74 -58.92 6.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.11 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -51.57 -42.3 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.1 p -40.97 -42.48 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.82 -50.61 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.7 mmt -48.03 -33.84 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -78.54 -26.21 45.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -64.25 -62.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -126.65 -39.85 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.0 -174.35 21.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 182' ' ' GLN . 3.1 t80 -119.65 102.47 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -87.29 169.77 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' CG2' ' HB1' ' A' ' 116' ' ' ALA . 7.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.768 0.318 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -109.16 123.2 48.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.93 118.72 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -112.29 157.15 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -101.11 116.14 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.19 165.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -105.74 155.14 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -106.54 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.5 mp -66.67 -50.59 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 155.2 -178.53 31.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.405 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 23.8 ttp -100.76 141.68 33.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -145.27 122.87 6.32 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.464 ' N ' HD12 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.8 136.38 32.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.312 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -108.57 156.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.45 -25.7 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -124.4 149.19 60.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.95 28.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -140.35 176.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.99 136.75 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' LEU . 3.8 mmt -68.41 -58.27 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -41.84 -40.78 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -68.51 -33.21 73.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' MET . 4.7 tp -68.62 -57.77 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -53.88 -49.65 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -39.99 -53.64 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 61.1 mt -53.76 -57.59 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.05 -32.83 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.2 -52.67 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.86 -38.97 69.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.1 mmt -46.92 -51.13 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.2 t -77.32 -20.16 55.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.9 t -66.75 -52.72 41.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.8 m -125.88 165.83 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 4.9 m -85.19 169.25 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.472 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.0 tttm -64.07 -35.92 82.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.59 -37.03 65.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.72 -36.5 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 9.4 m0 -57.18 115.57 10.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.559 0.695 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.35 30.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.9 p -64.33 119.29 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.9 m -127.71 177.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -132.26 145.01 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 29.0 tpp -96.81 102.48 14.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -87.59 96.98 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 65.3 t -101.4 100.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' A' ' 70' ' ' VAL . . . -141.69 140.99 33.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t0 47.65 45.86 17.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.417 ' C ' HG22 ' A' ' 137' ' ' VAL . . . 57.08 41.05 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -129.31 123.95 33.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -100.92 96.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 m -114.59 117.23 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.47 HG22 ' CE1' ' A' ' 168' ' ' PHE . 56.1 t -85.68 96.4 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.8 mm -90.23 139.17 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.6 t -69.69 147.34 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.35 -37.51 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -71.3 -47.69 55.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -118.36 138.72 52.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.83 -37.91 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.85 19.68 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' VAL . 5.4 tp10 -81.8 -30.45 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' GLU . 11.8 p 33.35 50.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -35.92 -53.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.46 133.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -119.11 103.6 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.3 t -116.39 149.25 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 21.6 mtm180 -127.63 116.11 19.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.417 HG22 ' C ' ' A' ' 118' ' ' ALA . 43.3 t -36.31 -41.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -45.72 -47.91 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -80.1 -34.73 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.6 tt -40.55 130.08 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.0 p -98.16 -56.5 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 143' ' ' MET . 11.4 t80 -148.95 155.39 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' MET . . . . . 0.417 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 17.0 ptt? -151.75 146.0 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -162.23 -167.49 22.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 11.6 m -119.18 160.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.61 -171.15 43.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 148' ' ' ASP . 39.2 pttt -38.77 -46.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 147' ' ' LYS . 6.1 m-20 -104.09 127.72 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 30.3 m -46.56 -46.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -38.37 -45.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 52.1 p -77.09 135.73 38.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -139.48 122.66 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -134.83 153.95 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -140.9 148.19 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 70.2 mt -100.24 136.41 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.4 ptm -140.05 153.25 46.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.14 133.51 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 66.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.97 158.29 44.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -117.58 149.27 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.45 106.4 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.405 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.1 m-70 -91.9 113.0 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 6.3 t -90.5 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.47 ' CE1' HG22 ' A' ' 122' ' ' VAL . 89.1 m-85 -152.5 140.02 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -93.02 139.38 30.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 77.5 m -122.0 149.05 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 2.3 mp0 -137.74 132.62 17.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.661 0.743 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.72 -50.45 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.358 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -123.69 166.73 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.29 39.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -78.62 -50.19 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -74.17 -35.73 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.36 -59.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.3 m -59.83 -18.64 45.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -44.78 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.04 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.69 -48.58 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 1.4 pt20 -66.71 -21.33 66.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.85 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.4 -37.02 32.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' MET . 40.0 mt -61.28 -56.66 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 83.1 p -37.12 -41.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -55.39 -46.64 76.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' LEU . 13.1 mmt -52.61 -22.49 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.02 -40.22 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -53.74 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -113.17 -46.24 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.82 -159.52 13.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 25.6 t80 -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -93.79 162.9 13.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.914 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 116' ' ' ALA . 8.5 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 16.2 mt-30 -105.21 122.25 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.07 110.91 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 94.3 m-85 -105.49 154.89 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 119.74 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -149.75 176.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -115.49 153.75 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -107.08 100.08 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.9 mp -62.82 -44.83 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.96 171.85 17.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 8.6 ttp -89.23 119.24 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' C ' ' OE2' ' A' ' 164' ' ' GLU . 0.7 OUTLIER -123.99 118.35 26.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.46 56.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.53 166.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.46 -33.06 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -122.0 149.51 54.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -23.21 31.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 m -136.81 167.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.03 130.59 3.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.69 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -47.74 -47.32 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.9 m -62.15 -41.31 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.57 -44.03 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' SER . 1.9 m-80 -63.89 -53.7 46.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' ASN . 8.1 t -35.75 -47.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.13 -49.97 72.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.424 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 64.8 mt -47.21 -55.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.81 -37.9 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.23 -54.74 41.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.96 -38.1 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.2 mtt -52.85 -48.04 67.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.4 HG21 ' N ' ' A' ' 102' ' ' SER . 12.4 t -77.79 -45.43 24.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.4 ' N ' HG21 ' A' ' 101' ' ' THR . 5.2 t -47.12 -46.72 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 99.8 p -121.83 -176.28 3.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.412 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 3.2 p -107.03 158.35 17.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 37.4 tttm -58.7 -18.48 31.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -90.34 -38.42 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.69 -33.69 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.504 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 2.4 m0 -62.2 114.63 12.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.525 0.679 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.3 50.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -71.24 107.23 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.0 m -114.11 177.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -131.86 141.58 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 27.7 ttm -93.47 103.8 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -89.76 97.1 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.5 t -101.63 106.69 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.437 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . . . -147.6 130.27 15.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.3 t0 59.1 43.45 17.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 57.05 41.79 26.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 35.0 m -131.07 116.62 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' CYS . 73.0 t -91.04 97.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.0 m -116.4 115.85 26.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' A' ' 168' ' ' PHE . 94.2 t -82.61 104.57 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.9 mm -98.33 140.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -65.42 153.96 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.41 -46.16 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -76.42 -44.65 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.55 135.84 46.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -93.64 -32.63 14.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -94.54 40.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 131' ' ' VAL . 11.6 tp10 -101.61 -30.98 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 130' ' ' GLU . 15.0 p 32.15 49.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' VAL . 78.3 mt -35.82 -47.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 134' ' ' GLU . 79.3 t -132.81 137.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.427 ' N ' HG11 ' A' ' 133' ' ' VAL . 40.8 tt0 -124.92 101.98 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 120' ' ' VAL . 11.5 t -125.17 145.25 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.36 123.15 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 85.1 t -38.77 -40.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -45.7 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 140' ' ' LEU . 22.4 m-85 -78.98 -37.0 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' PHE . 7.4 tt -36.41 109.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 76.2 p -77.26 -57.91 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -148.41 143.79 27.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -139.78 148.58 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -165.24 -156.25 9.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.43 161.93 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.424 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -91.12 -170.15 42.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -46.56 -39.88 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 149' ' ' VAL . 8.3 t0 -108.96 114.91 29.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 150' ' ' HIS . 32.6 m -36.92 -39.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 74.2 m80 -44.7 -47.83 10.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.49 HG22 ' CE3' ' A' ' 169' ' ' TRP . 70.0 p -77.33 121.53 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -123.7 116.77 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -123.56 171.58 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 14.1 p90 -162.51 140.3 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 84.5 mt -95.07 130.25 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -124.87 168.37 13.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -119.58 125.17 48.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.883 0.373 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -134.47 124.45 25.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . 0.438 ' CG ' ' HG2' ' A' ' 80' ' ' MET . 21.0 tp10 -111.21 151.64 28.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.9 t -114.29 126.37 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 92.5 m-70 -114.99 118.15 32.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 28.0 t -94.09 140.36 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 122' ' ' VAL . 96.0 m-85 -141.31 128.58 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.49 ' CE3' HG22 ' A' ' 151' ' ' THR . 39.6 t-105 -81.95 138.62 34.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 65.2 m -124.53 149.52 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.7 mm-40 -144.08 134.85 12.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.2 Cg_endo -69.73 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.39 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.04 170.74 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.7 30.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -79.28 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.46 -21.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.15 -50.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 13.2 m -57.32 -37.93 73.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -39.57 67.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -55.29 -50.99 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.57 -36.01 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.445 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 31.7 tt0 -53.51 -49.5 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.52 -46.68 38.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.65 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 19' ' ' SER . 26.7 mt -72.62 -49.82 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LEU . 41.9 m -34.22 -49.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -49.3 76.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.7 mmt -46.35 -39.75 10.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -69.98 -38.43 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -58.94 -69.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -111.76 -47.92 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -152.01 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 59.4 t80 -138.0 118.41 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -97.16 130.84 44.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.749 0.309 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -115.91 121.35 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -102.52 117.38 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.52 146.49 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -88.02 117.36 26.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' ARG . 31.4 m -151.6 174.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -111.43 162.91 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -123.99 103.26 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.506 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.3 mp -67.04 -50.66 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 151.51 176.79 24.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 17.8 ttp -83.8 126.47 32.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.14 113.2 14.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.75 54.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 91' ' ' THR . 14.3 m -115.33 163.01 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.75 -38.38 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.39 150.32 51.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -27.39 26.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.03 172.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.08 142.68 9.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 88.1 mmm -77.37 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -38.12 -46.39 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 83' ' ' VAL . 94.4 m -66.64 -45.26 79.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.22 -56.43 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -53.66 -44.41 69.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.6 t -47.52 -48.87 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.69 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.402 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 82.0 mt -44.22 -53.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.76 -47.35 86.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -44.83 -43.34 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.9 mt -82.42 -48.73 10.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 mtt -43.63 -41.62 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.1 t -80.14 -29.26 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -68.16 -50.55 53.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 p -118.59 166.06 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.447 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 41.7 m -90.95 162.58 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -56.53 -37.39 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.47 -45.5 30.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.3 -41.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.506 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.4 m0 -55.39 114.91 8.04 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 116.38 4.53 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 m -48.43 109.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -111.86 170.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 125' ' ' GLU . 97.2 m-20 -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.6 tpp -85.41 104.71 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.55 97.75 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 76.8 t -101.84 121.68 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.81 144.44 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.0 t70 43.22 43.87 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 58.34 40.47 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.5 m -132.66 113.89 13.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -89.61 106.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.442 ' CG2' HD11 ' A' ' 123' ' ' ILE . 18.4 m -120.2 121.0 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 96.8 t -84.28 100.38 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.442 HD11 ' CG2' ' A' ' 121' ' ' THR . 32.8 mm -98.44 136.66 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.401 ' HG ' ' N ' ' A' ' 125' ' ' GLU . 44.3 t -51.54 154.49 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.443 ' HA ' ' ND2' ' A' ' 112' ' ' ASN . 9.1 tt0 -51.96 -48.64 64.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 12.0 tptm -100.92 -68.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 86.4 m-20 -49.55 118.15 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -87.52 -32.7 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.13 41.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 131' ' ' VAL . 6.5 tp10 -104.45 -29.63 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.508 ' C ' ' O ' ' A' ' 130' ' ' GLU . 8.3 p 28.81 46.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.9 mt -34.04 -47.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.9 t -138.22 134.99 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -119.09 107.15 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.4 t -122.03 143.87 49.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 57.4 mtp85 -121.02 122.11 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 136' ' ' ARG . 87.6 t -36.21 -51.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -44.65 -45.75 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.05 -38.63 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 142' ' ' PHE . 6.0 tt -46.96 134.98 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.411 ' N ' HD22 ' A' ' 140' ' ' LEU . 58.1 p -106.01 -45.23 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.433 ' CG ' ' N ' ' A' ' 143' ' ' MET . 81.3 t80 -155.91 160.75 40.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' MET . . . . . 0.433 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 8.9 ptt? -160.9 151.32 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -163.07 -172.53 30.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 22.5 m -115.95 152.4 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.402 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -78.44 -175.8 46.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -47.14 -26.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.846 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 147' ' ' LYS . 0.6 OUTLIER -120.88 119.16 31.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 29.2 m -37.89 -41.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -43.18 -46.68 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.418 HG21 ' CE3' ' A' ' 169' ' ' TRP . 52.2 p -80.16 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.52 112.85 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -119.38 157.43 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 7.3 p90 -145.84 143.98 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 54.6 mt -97.22 133.28 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 11.3 ptm -136.89 166.72 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -108.32 128.17 54.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' A' ' 162' ' ' ARG . 12.5 mmp_? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -126.03 115.97 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -109.22 156.64 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.32 117.26 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 94.0 m-70 -100.46 120.81 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 78' ' ' LEU . 72.0 t -92.66 147.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.486 ' CE1' ' CE2' ' A' ' 154' ' ' PHE . 82.9 m-85 -150.05 134.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.418 ' CE3' HG21 ' A' ' 151' ' ' THR . 44.7 t-105 -89.9 124.86 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 97.2 m -109.18 155.07 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.53 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 37.9 mt-10 -148.21 136.7 11.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.77 -47.6 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.83 157.0 36.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.36 42.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.57 -55.66 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.75 -39.06 92.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 69.8 t -67.52 -52.97 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 57.5 p -60.33 -32.75 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.16 -49.19 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.9 -57.32 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 8.5 p -55.17 -39.96 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 17.0 tt0 -56.92 -57.96 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -39.01 -48.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -43.47 -42.85 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.8 t60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' MET . 18.4 mt -69.8 -53.81 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -37.85 -45.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -60.92 -44.83 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' LEU . 20.2 mtt -55.37 -36.47 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.34 -49.36 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.58 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -129.03 -32.42 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.08 -163.43 12.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 50.2 t80 -129.24 95.15 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.89 152.6 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.412 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 11.0 t-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -96.78 117.97 32.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -109.71 117.97 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.74 151.56 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 74' ' ' ARG . 0.7 OUTLIER -97.39 123.82 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -152.58 179.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -118.53 155.59 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -109.21 111.4 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.34 176.45 38.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.621 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 2.8 tpt -98.29 104.16 16.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.47 ' N ' ' HE2' ' A' ' 80' ' ' MET . 0.5 OUTLIER -113.78 115.12 46.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.645 0.735 . . . . 0.0 110.936 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 144.04 53.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.47 175.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -102.59 -28.39 12.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -124.26 150.19 63.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.38 29.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.1 m -138.07 170.58 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.31 143.8 10.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.418 ' HE2' ' N ' ' A' ' 145' ' ' VAL . 4.3 mmt -80.14 -57.44 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -38.94 -36.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.1 m -80.11 -48.93 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.14 -54.85 42.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' SER . 2.6 m-80 -49.41 -52.83 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 33.3 t -36.33 -46.12 0.51 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.63 -53.28 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 97.4 mt -45.08 -58.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.77 -46.62 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -44.7 -68.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.31 -40.83 87.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -49.52 -40.98 39.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -86.94 -17.35 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 t -76.2 -44.26 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.1 m -126.09 -176.36 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.9 m -108.7 165.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.422 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 33.8 tttm -57.19 -43.76 83.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.25 -40.12 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -48.0 -38.0 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.422 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 6.5 m0 -59.55 119.72 42.53 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.54 0.686 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -63.78 118.12 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.64 173.63 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -129.7 137.71 50.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 40.7 ttm -88.27 101.01 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -82.73 95.92 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 93.5 t -98.65 100.42 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.86 125.54 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 62.4 49.5 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 50.93 37.68 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -127.62 114.85 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -93.45 102.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 62.8 m -117.95 126.09 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.1 t -88.53 98.13 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.4 mm -94.65 131.9 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -60.25 133.75 56.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.99 -46.08 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -69.26 -70.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -86.28 136.6 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.43 -28.19 17.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.81 40.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.4 tp10 -105.33 -30.92 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 132' ' ' LEU . 14.8 p 32.55 48.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 47.4 mt -33.23 -46.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 134' ' ' GLU . 71.3 t -141.45 134.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 133' ' ' VAL . 21.9 tt0 -118.48 101.14 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.7 t -115.54 147.75 40.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -124.05 127.81 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 140' ' ' LEU . 89.5 t -43.75 -51.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -44.16 -43.13 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.27 -22.14 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 137' ' ' VAL . 1.7 tt -55.09 126.18 23.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 56.3 p -99.48 -37.88 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.404 ' CG ' ' N ' ' A' ' 143' ' ' MET . 44.1 t80 -161.76 156.51 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 1.5 ptt? -155.43 147.52 23.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -165.43 -172.66 33.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.418 ' N ' ' HE2' ' A' ' 89' ' ' MET . 6.0 m -118.67 160.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -92.51 -174.38 41.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 146' ' ' GLY . 52.7 mttm -35.35 -46.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -105.5 127.14 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 m -53.05 -20.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 69.1 m80 -58.81 -36.77 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 72.3 p -91.78 129.83 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -129.57 113.96 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -119.9 146.55 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -132.73 138.59 47.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 87.5 mt -95.86 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.3 ptm -116.54 157.26 25.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -105.22 113.15 26.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -133.64 118.39 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -116.79 143.21 45.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . 0.465 ' N ' ' HE3' ' A' ' 80' ' ' MET . 2.4 t -122.82 115.92 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.621 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 78.6 m-70 -106.47 114.32 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 23.5 t -87.5 152.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 83.6 m-85 -154.01 133.47 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -85.83 142.65 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.26 153.09 46.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 25.2 mt-10 -139.73 132.07 15.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.4 Cg_endo -69.72 -48.29 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.361 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.08 167.09 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -90.13 45.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.82 -49.04 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.58 -38.5 77.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.24 -56.19 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.7 p -58.3 -26.42 63.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.58 -45.58 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.5 -54.67 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.9 p -60.52 -24.99 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.543 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 32.5 tt0 -75.67 -42.78 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.14 83.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.93 60.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.82 -37.33 48.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m -49.75 -44.39 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -44.07 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -50.43 -19.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.407 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 79.6 mt-30 -89.77 -40.66 12.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -44.55 -71.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -117.83 -36.89 3.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -165.0 13.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 182' ' ' GLN . 6.0 t80 -119.38 103.54 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -86.59 156.74 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.865 -179.891 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 71' ' ' GLN . 5.5 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.796 0.331 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' N ' HG22 ' A' ' 70' ' ' VAL . 19.3 mt-30 -103.37 126.21 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -120.26 111.12 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -110.18 157.34 19.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -97.92 128.58 44.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.02 -176.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -121.57 159.56 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -114.66 108.76 17.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.6 mp -73.68 -43.45 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.91 -175.5 29.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.455 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 7.7 tmm? -109.43 113.57 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.5 116.72 59.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.61 19.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.43 161.55 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -101.23 -23.78 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -104.48 130.18 23.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.31 37.59 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.0 m -146.14 -175.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.28 143.82 10.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.1 mmt -86.03 -9.54 56.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.69 -45.3 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.2 m -69.58 -30.65 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -78.14 -47.41 18.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -65.95 -30.06 70.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -66.83 -33.23 75.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.83 -51.39 41.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.1 mt -42.66 -66.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.8 -36.21 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -55.46 -47.23 76.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.1 mt -79.38 -37.31 37.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -47.53 -36.51 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.5 t -86.83 -19.87 28.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -72.31 -43.16 64.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 m -133.97 155.52 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 9.8 m -86.66 164.18 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 108' ' ' TRP . 40.3 tttm -54.84 -33.58 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.46 -37.41 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.68 -36.62 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.465 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.8 m0 -62.24 113.85 9.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.705 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.82 15.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -61.48 110.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -112.93 171.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -121.33 135.06 55.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.4 ttm -89.91 105.34 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -90.69 97.31 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.3 t -101.54 105.36 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.94 143.25 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 t70 48.75 39.32 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.4 45.1 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.1 m -136.84 115.71 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.94 98.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.4 m -117.59 113.64 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.425 HG23 ' CZ ' ' A' ' 168' ' ' PHE . 24.6 t -81.87 105.06 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.25 143.35 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -74.3 143.31 45.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.69 -56.84 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -51.02 -70.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -99.66 148.52 24.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -95.63 -15.98 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -103.61 42.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.422 ' CG ' HD22 ' A' ' 132' ' ' LEU . 7.5 tp10 -108.29 -31.66 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.4 p 38.15 49.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -34.66 -39.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.1 t -146.34 130.18 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -120.07 102.84 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.7 t -122.71 147.63 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -118.91 133.86 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.8 t -53.54 -35.91 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -59.14 -36.1 74.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.15 -23.77 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.38 131.64 42.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.0 t -96.37 -69.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -137.74 148.1 45.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -148.52 158.06 43.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.85 -168.76 34.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.407 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -116.72 151.77 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -82.68 -170.18 45.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -44.74 -38.8 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -106.22 127.31 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 174' ' ' ALA . 20.1 m -52.37 -17.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 47.1 m80 -70.12 -31.61 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 43.5 p -87.23 123.88 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.505 ' CZ ' HG13 ' A' ' 181' ' ' VAL . 8.7 t80 -128.02 119.16 24.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -126.32 164.93 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.7 p90 -158.95 140.27 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 59.3 mt -95.48 140.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 9.7 ptm -133.61 166.21 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -111.69 116.79 31.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.904 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -138.31 122.33 17.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -107.84 141.92 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 8.1 t -110.24 107.88 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.455 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 83.6 m-70 -99.04 130.72 45.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 23.8 t -108.01 154.73 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.425 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 92.2 m-85 -154.18 139.16 17.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -96.2 126.36 41.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 3.8 m -114.35 147.6 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 19.0 mt-10 -139.97 140.66 24.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.71 -45.96 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.366 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.23 155.52 33.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 149' ' ' VAL . . . -83.38 35.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.0 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.05 -20.93 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 152' ' ' PHE . 73.8 t -92.3 -49.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 22.9 t -67.38 -23.39 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -83.08 -40.85 19.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -69.7 -45.8 67.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . 0.505 HG13 ' CZ ' ' A' ' 152' ' ' PHE . 12.2 p -60.96 -43.85 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 8.0 pt20 -74.07 -14.2 60.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -78.88 -29.52 44.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -70.36 -39.05 74.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 58.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.532 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.842 0.353 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.76 -33.17 73.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -50.92 -59.02 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -48.68 -31.93 7.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 mmt -75.23 -33.73 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.444 ' HG2' ' CG2' ' A' ' 145' ' ' VAL . 9.0 mt-30 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -52.59 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.11 -28.0 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.4 -143.47 16.48 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.407 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 51.1 t80 -150.06 106.88 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.87 157.3 28.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.878 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.737 0.304 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -109.64 131.46 55.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.17 113.27 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -107.58 154.14 21.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.482 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 1.4 tmm_? -98.78 127.49 44.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 35.7 m -160.52 168.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -106.8 161.78 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -114.54 109.78 18.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mp -69.84 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' HD11 ' A' ' 99' ' ' LEU . . . 170.02 177.45 40.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.626 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 3.5 tpt -97.26 102.89 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.494 ' N ' ' HE3' ' A' ' 80' ' ' MET . 0.3 OUTLIER -111.21 113.83 53.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.949 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 149.06 66.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.19 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -102.03 -25.06 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -117.88 141.57 29.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.18 29.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.49 175.61 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.91 153.12 12.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.18 -34.8 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.68 -29.01 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.2 m -85.58 -47.07 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.63 -46.5 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -61.09 -33.41 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -65.44 -41.36 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.12 -35.11 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.7 mt -59.53 -59.34 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -56.88 -40.78 76.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -50.49 -47.13 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 79' ' ' GLY . 98.8 mt -79.13 -47.28 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.7 mmt -40.64 -41.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -84.83 -27.15 26.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.3 t -59.2 -47.31 85.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.5 p -133.14 161.17 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -78.08 159.27 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.506 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.1 tttt -52.93 -33.61 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -77.54 -42.25 36.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -44.71 -33.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.506 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 6.2 m0 -61.49 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 120.59 7.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -53.48 119.08 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -120.2 -175.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -136.4 136.59 39.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.0 ttm -92.32 100.21 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -87.26 96.64 10.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.9 t -96.91 100.45 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.53 133.97 29.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 t70 52.79 45.58 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 54.07 44.08 29.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.7 m -132.78 114.46 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.7 t -89.59 106.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.9 m -121.57 125.68 47.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.445 HG23 ' CE2' ' A' ' 168' ' ' PHE . 77.5 t -88.0 102.14 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.4 mm -96.75 136.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -67.77 146.64 53.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.31 -42.88 78.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -68.65 -54.06 18.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -106.36 138.02 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -91.44 -23.43 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.54 40.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -100.05 -33.67 10.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 132' ' ' LEU . 7.1 p 39.08 46.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 131' ' ' VAL . 38.8 mt -34.04 -51.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.38 139.03 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -124.81 103.33 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 8.4 t -117.6 151.06 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -124.01 127.13 47.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 79.1 t -43.29 -41.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.56 -41.17 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -79.92 -18.14 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.16 124.26 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.8 t -97.04 -46.11 6.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 143' ' ' MET . 20.1 t80 -157.58 158.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' MET . . . . . 0.454 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.8 OUTLIER -156.86 157.37 34.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.66 -177.98 44.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . 0.444 ' CG2' ' HG2' ' A' ' 22' ' ' GLN . 8.2 m -108.31 166.51 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -103.89 -162.8 24.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 146' ' ' GLY . 25.1 mmtp -37.35 -59.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -98.84 122.98 42.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.1 m -43.91 -29.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' HIS . . . . . 0.481 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 59.3 m80 -50.96 -41.37 59.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 73.1 p -77.2 132.76 38.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -133.09 113.92 13.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -123.53 147.86 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 7.2 p90 -135.69 146.12 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.25 114.22 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -110.4 166.65 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -116.57 138.09 51.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -129.8 121.65 27.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -115.95 142.93 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' CYS . . . . . 0.465 ' N ' ' HE1' ' A' ' 80' ' ' MET . 10.7 t -122.68 123.35 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.626 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 88.6 m-70 -115.45 113.92 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 6.0 t -89.55 138.54 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 61.6 m-85 -138.74 144.82 39.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -96.07 133.71 39.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 82.6 m -115.91 163.41 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 20.5 mt-10 -153.5 133.63 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.72 -47.72 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.363 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -121.16 169.9 10.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.51 29.67 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -80.86 -37.65 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.2 -41.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 28.9 p -66.1 -30.12 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.53 -31.89 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -74.66 -34.36 62.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.02 -34.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.407 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 36.1 tt0 -66.56 -37.19 84.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -54.28 -51.42 64.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -46.02 -48.37 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -95.12 109.27 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -102.3 142.25 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.35 130.15 1.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -101.66 151.97 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -67.14 -52.42 41.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.22 -171.57 22.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -171.7 146.02 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.26 -61.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.4 155.58 40.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 p -99.45 140.09 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -82.15 152.36 67.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.539 0.685 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -14.46 35.93 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -85.61 -37.77 19.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.26 -51.43 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -43.46 -50.51 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -61.65 -32.41 72.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -74.21 -35.61 63.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -52.6 -46.41 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -52.89 -47.88 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -61.77 -23.8 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.61 -29.75 27.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.01 -74.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.43 -45.48 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.3 -156.08 16.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.67 118.35 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -102.17 132.8 47.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -80.87 127.1 75.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -50.8 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' PHE . 7.5 m -38.91 -61.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' THR . 12.0 t80 -34.49 -48.42 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -46.65 89.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' THR . 69.0 m-85 -58.08 -48.41 80.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -49.27 -32.28 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.27 -70.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -93.61 93.05 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.3 ttt -96.68 114.78 26.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -51.23 132.83 28.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -150.51 167.96 25.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p -70.32 140.6 52.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.41 74.88 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.37 4.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -40.94 -36.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m -68.09 123.44 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.01 -161.67 30.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.9 mt -105.71 44.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -130.62 111.65 12.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.85 41.79 1.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -166.91 157.03 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.56 143.39 7.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 82.4 p -128.22 122.22 31.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -147.25 165.61 29.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.54 125.49 0.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 t -135.21 178.41 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.0 t -164.48 157.49 17.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.22 179.19 47.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -156.63 106.74 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -90.95 142.05 28.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.73 141.9 14.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -164.12 123.96 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -88.45 164.48 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -150.71 -93.81 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 171.87 13.7 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.22 142.19 28.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.18 24.9 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -108.79 172.13 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.2 m -82.69 126.32 32.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.28 128.27 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -47.35 170.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 71' ' ' GLN . 1.3 p -148.99 156.69 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.484 ' N ' ' CG2' ' A' ' 70' ' ' VAL . 20.2 mt-30 -106.89 123.63 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -119.26 129.59 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -121.49 155.45 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 74' ' ' ARG . 3.5 tmt_? -95.92 121.82 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 35.0 m -157.8 164.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -101.07 163.1 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -116.59 100.21 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.9 mp -65.74 -43.07 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.53 -177.81 22.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.556 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 24.2 ttp -103.72 133.15 49.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -124.04 120.09 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 141.86 46.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.51 172.56 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.21 -23.0 11.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -113.37 142.15 27.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.67 29.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.36 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 142' ' ' PHE . 18.6 m -143.37 -176.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.97 121.22 3.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.09 -24.03 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.76 -22.71 46.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -85.27 -50.77 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 93' ' ' ASN . 8.7 tt -60.55 -54.16 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.419 ' N ' HD22 ' A' ' 92' ' ' LEU . 6.7 m-80 -53.39 -57.28 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -42.17 -47.27 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.33 -43.14 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 59.4 mt -51.12 -61.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.12 -32.47 47.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -63.29 -52.77 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.09 -34.19 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.24 -47.48 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 102' ' ' SER . 11.2 t -74.09 -24.93 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 101' ' ' THR . 8.9 t -61.53 -54.43 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -126.61 157.02 39.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.5 m -75.85 177.91 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -68.19 -36.31 79.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -81.4 -21.44 38.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -34.6 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.512 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.5 m0 -67.28 118.45 56.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.53 23.48 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.0 m -62.79 117.56 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.93 -177.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -135.44 133.85 39.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 7.9 ttm -86.35 109.08 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.36 98.28 11.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.47 105.49 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -146.71 147.53 31.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 t0 40.23 43.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 57.09 43.52 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.406 HG22 ' NE ' ' A' ' 136' ' ' ARG . 7.9 m -130.46 125.43 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.2 t -100.54 97.65 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 92.7 m -118.36 114.48 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.3 t -78.76 96.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.7 mm -91.77 134.79 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 t -51.21 161.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.58 -62.15 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 36.4 pttt -80.8 -50.34 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 82.0 m-20 -73.59 131.12 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -102.57 -23.87 13.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -100.81 18.66 18.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.426 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 12.2 tp10 -78.92 -39.1 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.3 p 41.85 45.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' VAL . 62.1 mt -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 134' ' ' GLU . 73.8 t -138.09 144.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.463 ' N ' HG12 ' A' ' 133' ' ' VAL . 22.9 tt0 -128.1 111.26 13.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.6 t -126.1 144.37 50.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.406 ' NE ' HG22 ' A' ' 119' ' ' THR . 14.1 mmt180 -116.02 120.47 39.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 70.2 t -47.98 -47.52 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -49.87 -27.24 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -94.06 -31.45 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.5 tt -45.31 121.75 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.6 t -88.49 -58.48 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.464 ' HB2' ' CG1' ' A' ' 87' ' ' VAL . 16.7 t80 -138.85 153.01 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -151.58 150.85 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.06 176.28 46.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.64 162.6 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.376 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -85.11 -175.88 50.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -44.53 -29.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 147' ' ' LYS . 11.8 m-20 -112.28 137.64 50.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.441 HG21 ' N ' ' A' ' 150' ' ' HIS . 31.4 m -59.46 -36.46 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.441 ' N ' HG21 ' A' ' 149' ' ' VAL . 50.8 m80 -53.45 -29.62 36.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 69.1 p -91.75 125.56 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -130.4 121.55 26.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.96 173.6 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.404 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 21.7 p90 -164.66 147.33 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 95.1 mt -100.97 132.45 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -128.74 157.87 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -103.96 130.54 51.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 16.0 p -101.15 -52.45 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 167.03 156.53 9.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 58.9 53.18 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 48.87 42.13 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 -104.6 149.43 25.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -137.76 130.08 29.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -118.22 139.68 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 25.6 t -114.65 111.29 21.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.556 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 86.8 m-70 -105.01 141.07 37.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 20.8 t -113.69 147.15 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.404 ' CE1' ' CE2' ' A' ' 154' ' ' PHE . 62.8 m-85 -145.76 139.29 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -91.17 134.01 34.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.2 m -121.58 145.32 48.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.2 mm-40 -135.43 135.6 22.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.2 Cg_endo -69.79 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 -1.801 . . . . 0.0 112.331 0.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.19 176.57 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.22 26.29 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.64 -42.96 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.46 -20.04 62.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.4 t -91.06 -51.87 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 92.3 p -60.06 -14.19 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.74 -37.53 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.48 77.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.71 -41.34 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.56 -47.53 85.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.12 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.37 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m 56.8 43.41 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -125.51 135.09 51.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.46 143.32 8.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -161.69 164.75 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -134.11 163.42 29.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -127.59 53.21 0.8 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.8 m-20 -174.97 170.62 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.16 -55.41 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.19 131.02 50.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.61 149.4 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -67.99 152.12 96.66 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.66 24.17 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.695 2.264 . . . . 0.0 112.359 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.8 -40.8 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' LEU . 11.0 mt-10 -57.46 -49.31 76.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLU . 98.3 mtt180 -36.43 -64.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -43.16 -38.53 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' GLU . 59.3 mt -75.59 -39.13 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -52.13 -38.89 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -70.12 -41.11 74.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mmt -55.21 -25.35 32.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -86.33 -37.32 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -55.73 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -114.81 -37.48 4.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 -175.67 19.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -126.23 91.67 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.64 161.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -86.57 119.93 71.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -47.83 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.9 m -47.28 -46.38 24.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -44.62 79.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -60.09 -28.78 68.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -63.44 -36.15 82.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -122.01 70.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.61 -48.02 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -116.29 172.07 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttp -102.81 115.35 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -92.58 135.2 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -134.82 124.66 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -83.09 -47.47 11.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.77 146.28 19.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 108.3 2.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.634 2.222 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 t -148.6 122.83 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.3 t -147.8 148.73 31.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 46' ' ' ILE . . . 47.17 88.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 45' ' ' GLY . 5.3 mp -34.56 107.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER -166.34 111.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 37.13 -100.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -104.62 -54.09 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 50.55 92.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.8 p -151.44 131.71 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 t -174.09 143.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.8 123.2 4.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 m -93.28 173.63 7.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.5 t -82.06 137.53 35.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.38 104.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 p -156.08 123.3 5.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.7 t -70.52 -58.13 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.12 92.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.9 t -160.65 145.3 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.1 p -159.62 165.81 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -126.92 65.43 0.57 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.36 3.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.4 p -67.35 142.9 96.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.82 40.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.277 . . . . 0.0 112.32 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.98 160.96 25.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.1 m -88.89 124.31 34.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -126.19 124.33 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mt -100.6 166.98 10.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' CG2' ' OD1' ' A' ' 114' ' ' ASN . 3.0 p -129.36 139.41 51.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 70' ' ' VAL . 25.0 mt-30 -108.74 120.0 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -108.17 110.05 21.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -103.39 163.14 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -106.71 110.19 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.32 168.29 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -106.08 168.38 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -121.86 111.72 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.3 mp -70.29 -59.7 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.65 179.48 40.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.628 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 3.0 tpt -100.07 104.53 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' N ' ' HE3' ' A' ' 80' ' ' MET . 0.3 OUTLIER -112.09 114.11 51.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 137.0 34.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.641 2.228 . . . . 0.0 112.348 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.84 170.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -99.41 -26.41 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -124.54 144.29 45.76 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.662 0.744 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.484 ' HD3' ' CE2' ' A' ' 163' ' ' PHE . 53.9 Cg_endo -69.75 -19.52 36.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.58 172.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.03 144.58 10.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -81.85 -59.19 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -40.82 -29.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 59.4 m -83.09 -49.47 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.05 -44.81 87.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' SER . 3.1 m-80 -64.08 -56.95 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 4.0 t -36.15 -48.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.18 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.432 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 75.4 mt -49.15 -54.52 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -57.12 -42.23 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -52.77 -62.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.41 -32.57 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 mmt -53.0 -44.08 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.1 t -80.89 -28.24 36.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.188 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -66.09 -52.57 47.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -116.97 148.4 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.5 m -80.38 157.72 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.487 ' HA ' ' CZ2' ' A' ' 108' ' ' TRP . 66.3 tttt -49.21 -40.28 32.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.24 -37.97 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -46.41 -36.81 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.487 ' CZ2' ' HA ' ' A' ' 105' ' ' LYS . 3.9 m0 -59.9 120.09 47.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 136.97 34.26 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.9 p -66.6 114.19 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.64 176.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -130.28 140.56 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 18.3 tpp -92.46 99.62 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.451 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 33.8 t30 -84.28 95.97 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.52 109.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.84 148.33 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 39.55 47.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 53.69 46.83 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.5 m -138.1 118.13 13.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 135' ' ' CYS . 92.1 t -95.95 99.85 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.4 m -115.5 121.03 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 168' ' ' PHE . 90.1 t -83.34 97.22 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 16.0 mm -94.12 133.5 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -64.9 138.06 58.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.419 ' O ' ' CD ' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -59.9 -38.91 83.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -74.29 -54.57 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -103.27 129.41 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -87.11 -28.82 22.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.18 33.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.479 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 35.5 tp10 -94.64 -39.88 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 130' ' ' GLU . 7.1 p 43.78 49.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 131' ' ' VAL . 33.4 mt -36.75 -52.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 134' ' ' GLU . 85.5 t -129.65 136.88 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.444 ' N ' HG12 ' A' ' 133' ' ' VAL . 17.4 tt0 -121.49 96.85 5.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 120' ' ' VAL . 53.8 t -117.13 141.12 48.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -118.57 123.73 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 60.7 t -38.49 -35.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.1 mtm-85 -57.8 -45.88 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -74.52 -25.82 59.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 140' ' ' LEU . 6.6 tt -55.98 132.01 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.4 p -105.36 -48.78 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 143' ' ' MET . 18.0 t80 -146.17 153.96 41.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' MET . . . . . 0.418 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.8 ptp -148.03 154.28 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.69 -174.46 44.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 4.9 m -118.98 154.03 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.432 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -80.1 -167.81 36.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -25.55 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -112.86 124.17 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 26.9 m -55.21 -16.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 55.0 m80 -73.28 -27.5 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.416 HG21 ' CE3' ' A' ' 169' ' ' TRP . 29.4 p -92.74 122.4 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -121.87 113.99 20.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.07 157.25 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.435 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.8 p90 -146.17 144.39 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 60.3 mt -98.19 113.73 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -108.89 160.64 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -113.49 123.06 49.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.0 p -91.16 -40.92 11.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 157.74 -179.18 33.66 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 48.1 31.75 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 62.74 35.21 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.417 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 29.1 mmt-85 -95.03 158.72 15.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.484 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 7.7 m-85 -137.55 123.9 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -119.45 144.7 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . 0.458 ' N ' ' HE1' ' A' ' 80' ' ' MET . 1.8 t -124.26 121.95 36.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.628 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 85.7 m-70 -111.82 117.52 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 40.6 t -91.0 139.42 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 122' ' ' VAL . 77.4 m-85 -139.13 136.89 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.416 ' CE3' HG21 ' A' ' 151' ' ' THR . 36.4 t-105 -91.83 137.03 32.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.54 161.77 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.53 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 39.7 mt-10 -150.45 137.67 11.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.75 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.34 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -118.76 175.74 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.05 39.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -85.01 -51.85 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -64.83 -23.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.71 -42.72 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 89.2 p -68.49 -33.79 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.94 -38.4 37.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.3 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.57 -33.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -59.88 -27.98 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -73.87 -28.88 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.26 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m 58.1 42.36 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -50.74 112.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.34 141.08 7.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -112.02 174.89 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -117.67 -57.96 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 157.91 157.24 8.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 22.7 m-20 -162.74 123.13 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.04 -51.59 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.78 139.97 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p -96.16 166.18 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 p -94.06 149.65 37.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.56 0.695 . . . . 0.0 111.155 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.54 21.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -92.87 -44.05 8.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.15 -46.05 88.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -38.73 -48.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -66.15 -45.01 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.38 -33.98 70.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -53.26 -33.86 54.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -59.47 -43.06 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 mmt -65.83 -11.65 48.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -106.54 -31.32 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -67.28 -74.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.52 -31.11 7.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.22 -173.78 26.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 47.0 t80 -134.86 108.13 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.07 163.45 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 55.8 t-20 -101.06 99.19 10.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.16 27.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.35 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m -52.67 -32.77 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.93 -52.11 18.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -83.53 37.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -74.46 -48.13 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -70.28 -30.66 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -90.86 55.9 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -80.81 170.52 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -103.19 112.89 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -152.65 128.65 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -95.73 109.26 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.2 t -45.61 -60.53 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.23 147.61 5.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -33.17 16.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.244 . . . . 0.0 112.331 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 t -112.36 112.3 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -83.46 -59.68 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.07 95.94 1.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.91 20.49 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.15 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.31 -59.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.82 90.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -76.32 66.22 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.25 -104.38 1.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 t -50.82 161.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 t -156.86 169.03 25.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.7 165.8 12.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.43 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -168.57 133.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -154.95 143.6 20.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.57 144.54 7.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -161.47 149.57 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -130.21 116.9 19.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.46 79.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -146.61 157.39 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.2 t -157.67 145.6 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -140.39 141.69 11.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 134.49 27.93 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -108.53 143.02 26.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.591 0.71 . . . . 0.0 111.13 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 131.63 21.54 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' THR . 14.7 pttp -143.12 159.94 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' LYS . 69.4 p -35.03 117.28 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -88.76 -7.99 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -119.63 173.15 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 ' CG1' ' OD1' ' A' ' 114' ' ' ASN . 25.0 t -115.11 129.76 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -97.46 125.2 41.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -121.89 133.75 54.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.79 152.54 43.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 74' ' ' ARG . 3.8 tmt_? -98.29 110.3 22.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.9 m -142.81 176.13 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -110.23 168.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -124.37 116.44 22.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.2 mp -79.22 -45.72 19.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.82 168.88 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.0 ttp -86.62 136.34 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.335 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -131.79 122.19 18.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.664 0.745 . . . . 0.0 110.891 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.455 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.75 132.07 22.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.97 154.67 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.72 -25.12 21.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -117.94 143.37 32.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.717 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -21.49 33.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.43 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.57 10.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.438 ' CE ' HD22 ' A' ' 92' ' ' LEU . 1.2 mmt -80.67 -49.44 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -51.09 -46.65 61.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -59.16 -40.88 86.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD22 ' CE ' ' A' ' 89' ' ' MET . 4.6 tp -58.67 -57.58 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.09 -47.52 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.8 t -42.2 -47.43 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.86 -50.93 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 82.0 mt -46.31 -57.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -62.52 -55.76 24.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -49.3 -48.62 46.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 t -80.11 -12.85 59.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -76.3 -19.49 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.66 179.85 8.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 49.6 m -100.57 165.16 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -61.77 -40.8 96.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.34 -16.3 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.5 -19.76 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.449 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.0 m0 -74.04 121.24 84.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 119.04 6.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -56.38 106.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.3 m -105.98 -178.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -132.54 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.8 tpp -86.5 103.68 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.457 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 44.4 t30 -90.65 96.25 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.61 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.414 ' CB ' HG23 ' A' ' 70' ' ' VAL . . . -148.73 150.36 33.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.0 t0 42.71 49.94 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.02 44.12 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.0 m -137.42 116.12 12.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 48.3 t -87.14 106.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -117.82 120.56 38.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.06 93.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -88.77 138.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -69.34 140.97 54.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.88 -33.26 68.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -101.53 36.14 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -171.78 160.07 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -121.88 -34.25 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -102.55 15.42 29.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.416 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 13.7 tp10 -69.51 -39.56 77.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 131' ' ' VAL . 7.2 p 41.41 47.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.5 mt -34.19 -42.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.4 t -144.33 131.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.28 104.18 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 21.6 t -121.82 144.57 48.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 35.6 mtt-85 -121.65 122.88 40.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.5 t -38.25 -45.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -74.93 -35.69 62.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.419 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 2.7 tt -47.95 136.16 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.9 p -110.82 -52.11 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -144.71 155.65 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -152.72 157.39 40.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -171.57 -158.38 15.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.21 163.94 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.38 179.26 43.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.72 120.11 41.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.2 m -43.97 -33.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -54.29 -42.68 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 40.1 p -72.82 130.08 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -135.03 118.54 16.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -128.49 172.29 11.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.63 149.46 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 54.5 mt -109.74 117.63 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.5 ptm -117.66 168.17 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -112.3 102.82 10.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 38.0 p -68.95 -55.08 12.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 167.67 169.38 31.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 58.68 30.47 19.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.66 29.35 10.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.438 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 12.3 mmt85 -92.68 156.84 16.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 7.6 m-85 -137.87 120.9 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -110.94 156.34 21.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 32.6 t -132.4 105.05 7.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -97.85 130.59 44.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 168' ' ' PHE . 2.4 t -103.01 152.95 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 167' ' ' VAL . 81.1 m-85 -153.15 139.08 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -92.37 128.5 38.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 86.8 m -100.91 150.41 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.442 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.6 mt-10 -138.49 124.81 12.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.76 -50.46 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -119.92 173.37 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.93 32.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.57 -54.88 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.09 -29.35 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.16 -48.18 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.1 m -69.97 -22.25 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -81.8 -47.43 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.13 67.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 182' ' ' GLN . 7.6 p -79.27 -38.93 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 29.8 tt0 -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -43.58 -33.1 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.21 96.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -61.93 156.99 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -97.14 -57.33 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.12 -150.56 39.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 38.74 50.54 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -163.48 143.47 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.84 -127.45 0.9 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -173.13 163.53 4.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.88 -65.14 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.18 137.21 35.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.97 155.87 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 p -83.96 151.0 59.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -9.46 26.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -95.28 -38.83 10.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' LEU . 13.1 mt-10 -64.56 -46.13 84.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -38.31 -39.69 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.27 -42.42 72.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 15' ' ' GLU . 18.3 mt -68.55 -57.46 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' LEU . 90.3 p -36.9 -50.99 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -50.47 -46.68 56.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mtt -54.25 -32.29 55.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 146' ' ' GLY . 41.5 mt-30 -77.85 -26.69 49.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -60.63 -67.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.63 -37.63 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.82 -168.96 12.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -137.88 105.41 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' CE1' ' A' ' 26' ' ' TYR . 2.8 mp0 -81.11 156.21 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.49 ' ND2' ' CG2' ' A' ' 30' ' ' THR . 19.2 t30 -93.04 108.17 30.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -38.64 7.48 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.618 2.212 . . . . 0.0 112.359 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.49 ' CG2' ' ND2' ' A' ' 28' ' ' ASN . 6.5 t -52.97 -29.1 26.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.413 ' N ' HG22 ' A' ' 30' ' ' THR . 5.9 t80 -69.11 -49.12 60.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -70.19 -43.85 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.31 -51.4 70.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -57.36 -46.07 83.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -84.45 42.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.09 103.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 35.3 mmm -115.62 -40.64 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -75.63 97.23 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -125.73 89.41 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -141.99 142.8 32.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.1 176.07 45.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 174.84 8.94 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.7 t 54.49 46.47 24.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -87.36 168.61 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.21 133.74 8.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 46' ' ' ILE . 4.8 mp -131.32 56.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -96.46 151.54 19.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.03 148.29 4.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.0 mtm-85 -118.18 40.02 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.35 104.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.7 m -133.05 138.75 46.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -137.78 139.52 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.46 -156.27 23.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.0 p -118.8 148.98 42.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 m -159.35 139.81 12.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.56 108.9 0.77 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 m -80.46 156.41 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.38 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 m -113.94 154.37 27.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.77 149.87 42.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -120.07 150.58 40.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -161.2 113.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.53 -178.67 16.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.61 54.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.1 p -137.52 143.53 41.29 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.58 0.705 . . . . 0.0 111.112 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -177.85 2.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -112.3 94.93 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.8 m -81.7 127.58 33.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -129.68 18.85 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 pp -98.41 165.22 11.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.433 ' CG2' ' OD1' ' A' ' 114' ' ' ASN . 7.6 p -164.45 136.89 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 19.1 mt-30 -106.11 120.65 42.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -110.49 113.74 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 98.8 m-85 -110.74 163.08 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.488 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -107.5 125.88 51.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 21.7 m -160.1 178.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -113.2 157.41 21.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.0 108.8 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.511 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.5 mp -74.47 -32.62 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.93 -166.74 24.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 20.1 ttp -112.0 128.13 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -123.82 122.15 26.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.458 ' N ' HD12 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.85 132.07 22.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.8 m -109.45 154.78 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.39 -30.96 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -122.65 144.77 43.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -16.97 37.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 m -141.7 175.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.8 134.61 6.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.487 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -69.06 -57.76 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.723 0.297 . . . . 0.0 110.832 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -44.57 -39.23 4.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -65.77 -46.45 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.451 HD22 ' CE ' ' A' ' 89' ' ' MET . 4.0 tp -51.01 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -53.52 -55.19 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' ASN . 10.4 t -35.42 -43.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.01 -50.81 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.6 mt -40.95 -55.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 98' ' ' ASN . 56.4 mt-10 -57.62 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 97' ' ' GLU . 7.7 t-20 -36.13 -42.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.4 mt -81.32 -45.85 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -41.77 -42.29 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.9 t -81.07 -31.86 34.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t -57.64 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 p -128.81 157.23 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 67.3 m -82.52 163.66 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -54.32 -44.49 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.97 -31.62 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -61.78 -20.97 64.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.5 m0 -73.92 119.79 77.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 121.43 8.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -57.34 118.48 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -121.22 177.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -129.32 141.39 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 35.6 ttm -95.17 104.06 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.433 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 32.6 t30 -93.84 96.27 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.38 101.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.58 140.84 41.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 t70 51.17 40.96 27.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 57.99 44.8 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.9 m -140.1 119.16 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.5 t -87.97 111.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -121.85 113.89 20.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.8 t -81.46 94.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.15 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.3 t -59.87 154.01 19.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -51.56 -57.47 9.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -70.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -51.64 118.27 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -104.22 38.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 38.4 tp10 -95.82 -40.69 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 130' ' ' GLU . 7.1 p 43.11 46.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -36.25 -39.19 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.4 t -146.66 129.43 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -114.09 104.4 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.4 t -118.85 146.54 44.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -119.6 122.4 41.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.7 t -40.1 -49.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -50.43 -41.04 51.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -73.56 -31.12 63.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.413 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.3 tt -51.47 123.12 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -92.99 -53.14 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -150.38 151.08 32.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.66 160.03 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.94 -168.26 34.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 21.6 m -121.78 150.68 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.407 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -79.8 -167.6 35.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -48.53 -33.4 9.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 149' ' ' VAL . 4.3 m-20 -116.46 112.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 148' ' ' ASP . 35.9 m -35.97 -40.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -40.84 -47.92 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.7 p -75.89 126.82 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -125.65 119.86 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -129.61 162.35 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.2 p90 -151.82 142.94 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 65.4 mt -97.53 132.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -134.93 169.68 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 159' ' ' GLY . 2.4 t0 -112.87 133.14 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 53.7 p -110.13 -1.23 17.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 157' ' ' ASP . . . 116.3 172.33 16.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.34 32.97 17.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 57.47 34.55 24.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -102.58 146.0 28.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.45 122.12 27.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -111.01 149.1 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.5 t -122.88 105.65 10.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 99.9 m-70 -92.39 125.89 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 5.3 t -103.36 154.03 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -153.91 144.34 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -95.65 127.18 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 69.7 m -115.67 151.74 34.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 35.0 mt-10 -142.45 139.21 17.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.8 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.314 0.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -124.11 157.63 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 41.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -87.07 -42.83 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -74.88 -25.73 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 61.5 t -83.71 -44.83 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.6 p -66.15 -37.01 84.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -73.42 -35.47 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -68.04 -47.95 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.9 p -66.58 -40.75 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -66.06 -35.43 80.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.07 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . 0.408 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . 87.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 52.24 45.13 28.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -150.94 161.24 43.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.85 -84.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p 48.1 42.15 16.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -58.38 -52.22 66.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.75 -137.27 41.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.62 179.12 5.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.94 -68.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.68 127.33 35.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -66.66 156.26 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 p -95.16 152.48 39.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.58 0.705 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -13.12 34.09 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -91.22 -36.78 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 18' ' ' LEU . 17.0 mt-10 -63.49 -40.69 97.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -40.77 -33.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 17' ' ' HIS . 1.4 t60 -83.4 -36.88 23.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' GLU . 53.2 mt -66.79 -38.3 86.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -49.05 -43.84 41.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -61.06 -51.63 68.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.3 mmt -46.42 -21.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.435 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 83.9 mt-30 -95.56 -35.91 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -53.02 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -121.56 -40.68 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -163.43 12.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -144.14 112.48 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -97.84 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -84.38 117.5 68.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.627 2.218 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.4 m -48.48 -45.25 36.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.7 -59.11 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -54.05 -53.92 46.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 34' ' ' PHE . 1.8 t80 -42.37 136.02 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER 32.72 50.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.44 -38.99 74.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -61.83 135.53 57.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.1 ptm -133.11 127.21 33.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -50.03 -51.16 44.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -47.17 155.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.0 t 57.54 47.93 15.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.8 89.17 0.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.64 68.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -88.64 7.37 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.7 m -134.92 102.58 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.43 88.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.3 pt -133.25 121.09 41.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.331 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' ILE . 12.4 mt-10 36.44 35.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.39 170.89 18.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -127.46 138.39 52.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -119.0 -153.24 9.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.6 t 44.18 44.43 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -101.82 99.32 9.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.15 -44.82 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -102.93 152.07 21.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -115.77 -48.17 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.69 133.48 7.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.449 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.6 t -164.69 143.18 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.0 m -60.01 -43.59 95.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.85 52.3 2.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.0 p -145.25 117.1 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.3 t -65.75 -55.3 17.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.71 155.48 10.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 176.6 6.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.47 142.25 13.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.556 0.693 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 150.39 67.94 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HE2' ' N ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -50.75 133.37 26.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.9 t -155.96 124.14 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -131.06 22.71 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -121.85 164.66 17.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p -169.26 151.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -119.39 128.33 53.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -118.42 112.2 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -106.42 162.42 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -100.53 113.05 25.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.2 m -149.5 164.19 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -106.91 164.25 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.47 108.88 16.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mp -67.75 -51.34 50.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.04 -175.87 33.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.472 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -101.22 105.18 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.446 ' N ' ' HE1' ' A' ' 80' ' ' MET . 0.9 OUTLIER -113.33 119.36 42.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.8 144.99 55.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -114.27 165.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -94.64 -26.36 16.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -125.74 145.26 50.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -18.94 36.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.746 2.297 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 142' ' ' PHE . 27.1 m -145.7 177.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.96 146.56 14.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.4 mmt -78.8 -53.9 6.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -51.73 -20.72 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.5 m -88.76 -48.42 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.93 -56.54 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' SER . 6.6 m-80 -47.76 -52.49 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 93' ' ' ASN . 23.2 t -38.42 -42.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -62.15 -58.79 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 95' ' ' ALA . 77.0 mt -35.95 -62.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.26 -48.54 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -42.65 -60.37 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.04 -43.56 91.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 mtt -46.1 -44.22 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -80.62 -21.61 41.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.3 m -72.59 -39.87 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.75 179.66 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.7 m -104.57 163.09 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.34 -41.92 73.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.26 -35.99 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -49.9 -36.4 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -61.86 120.29 55.77 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 134.55 28.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -61.91 114.96 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 132' ' ' LEU . 17.6 m -121.95 176.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -133.62 140.75 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.51 105.27 17.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -93.07 96.61 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.09 113.44 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.16 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.7 t0 62.34 47.36 5.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 56.47 40.09 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -131.16 119.17 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.92 99.51 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.1 m -113.76 114.56 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.36 104.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 6.8 mm -100.61 135.92 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -53.34 157.05 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -97.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.54 125.51 22.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -93.07 -26.6 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -102.14 26.52 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.6 tp10 -85.66 -30.48 23.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 130' ' ' GLU . 8.6 p 33.5 49.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.435 ' CD1' HG12 ' A' ' 111' ' ' VAL . 78.8 mt -36.08 -41.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.72 140.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -123.48 103.21 8.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.1 t -117.7 151.03 38.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 137' ' ' VAL . 84.3 mtt180 -129.15 121.19 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 136' ' ' ARG . 83.9 t -35.43 -53.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 138' ' ' ARG . 14.0 mtp-105 -39.23 -45.65 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.4 -41.14 63.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.3 tt -39.92 113.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.9 p -89.84 -48.03 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.451 ' HB2' ' CG1' ' A' ' 87' ' ' VAL . 38.7 t80 -148.74 147.27 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -145.57 146.31 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.04 -179.82 39.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.435 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 6.5 m -115.94 150.06 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.167 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -82.77 -178.13 52.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 146' ' ' GLY . 48.9 mtpt -35.71 -46.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.29 113.2 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 150' ' ' HIS . 35.1 m -38.6 -44.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 149' ' ' VAL . 79.3 m80 -35.22 -42.77 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 65.1 p -82.09 133.25 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -134.03 113.95 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -126.85 156.65 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -146.25 146.23 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.7 mt -100.62 121.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.2 ptm -121.31 165.5 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -104.53 120.72 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.6 p -96.5 -17.59 20.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 131.81 169.97 12.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 53.35 33.18 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 59.38 32.86 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -93.88 153.32 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -133.91 118.24 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . 0.434 ' CD ' ' SD ' ' A' ' 80' ' ' MET . 56.6 mt-10 -113.11 146.95 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.2 t -118.61 114.96 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.486 ' HB3' ' CE1' ' A' ' 168' ' ' PHE . 95.9 m-70 -104.89 107.62 18.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 30.1 t -87.52 151.45 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 76.1 m-85 -151.23 142.1 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -94.21 130.25 40.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.8 m -115.06 152.0 33.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 31.1 mt-10 -140.43 134.94 15.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.82 -48.16 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.33 0.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -120.48 179.88 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.47 34.06 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -81.8 -47.85 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -68.74 -30.02 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.26 -49.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.8 p -57.23 -37.98 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 180' ' ' ALA . 9.3 pt-20 -76.46 -38.2 55.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 179' ' ' GLU . . . -59.29 -44.99 92.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 182' ' ' GLN . 14.8 p -75.4 -42.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.447 ' N ' HG11 ' A' ' 181' ' ' VAL . 23.5 tt0 -51.94 -54.9 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.34 -49.51 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -43.55 -46.43 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -114.64 138.61 50.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 m -126.17 149.52 48.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -140.75 95.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' GLY . 22.2 t -35.65 -49.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m 59.81 43.06 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.74 172.71 14.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -116.59 94.79 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.58 164.19 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.96 130.59 47.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -48.52 146.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.072 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 p -77.25 150.8 80.69 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.536 0.684 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.84 22.07 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.326 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -95.29 -44.28 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -56.15 -52.43 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -39.4 -50.67 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -54.88 -50.25 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.72 -49.83 76.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -38.82 -51.72 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -57.11 -44.38 83.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.6 mtt -59.15 -30.4 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' HG2' ' CG2' ' A' ' 145' ' ' VAL . 53.7 mt-30 -83.81 -32.66 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -60.38 -63.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.73 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -165.54 14.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -130.67 105.79 8.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -89.68 140.92 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -70.74 116.76 49.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.61 23.49 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' TYR . 6.6 p -67.1 -56.2 11.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' THR . 3.3 t80 -37.08 -46.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 35' ' ' GLU . 18.8 ttpt -50.75 -49.75 57.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -41.26 -33.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -70.73 -43.31 69.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' LYS . 14.7 mm-40 -50.92 -38.24 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.54 106.1 17.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 ptp -88.1 123.76 33.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -103.36 88.7 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -166.82 169.22 13.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.5 p -94.51 130.35 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.5 -175.75 26.88 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 155.35 66.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 36.2 t -85.62 -55.3 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' SER . 4.7 m -36.05 115.89 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.01 122.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 mt -88.6 55.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 39.48 42.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.86 165.96 32.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.05 5.34 5.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.16 -156.12 19.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.3 p -49.45 176.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.5 m -111.78 176.26 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.23 -118.81 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 t -163.64 169.94 17.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -147.92 172.72 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -122.48 -166.64 12.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 m -87.84 138.91 31.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.1 t -130.75 -60.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.36 87.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.0 m -84.47 101.0 11.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -68.57 126.78 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -134.99 147.05 19.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.3 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.08 142.2 18.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 176.47 6.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -70.5 122.38 19.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -124.5 129.29 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -118.95 -5.39 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.575 ' CD2' ' C ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -123.21 154.87 38.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -175.14 150.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.28 134.47 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -123.95 115.15 20.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -113.68 154.07 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.93 114.7 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -150.7 159.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -101.14 161.13 13.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -113.91 99.97 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 6.7 mp -55.38 -55.27 33.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.17 -170.9 37.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.1 ttp -103.06 131.14 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -142.15 116.63 6.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.438 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.72 150.78 68.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.83 154.07 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.28 -31.31 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -123.15 145.03 44.96 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.746 . . . . 0.0 110.812 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -20.67 34.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.43 169.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.7 125.85 4.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.5 mmt -59.01 -60.2 4.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -43.91 -40.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.7 m -66.59 -52.57 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.12 -57.91 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -47.3 -52.98 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -38.75 -49.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.67 71.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 82.2 mt -46.73 -57.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.97 -39.36 85.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -51.78 -54.35 29.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.95 -42.88 69.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.5 mtt -45.64 -42.83 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 15.0 t -80.61 -21.5 41.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.8 t -74.96 -49.19 20.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.4 m -121.55 171.83 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.5 m -97.66 163.21 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.514 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 17.9 tttm -56.01 -39.06 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -78.31 -42.32 31.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -45.0 -41.43 7.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.514 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 5.6 m0 -55.32 123.36 48.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.494 0.664 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 134.6 28.37 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 m -70.97 107.48 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.08 175.1 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -125.4 134.36 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.9 tpp -86.35 104.44 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -89.65 97.31 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.45 102.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.39 147.25 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.5 t0 43.31 50.5 5.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.44 44.96 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -136.21 111.59 9.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.69 112.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.0 m -128.27 129.45 46.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.7 100.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 22.6 mm -100.28 130.1 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -51.02 147.98 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -51.2 -59.29 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -75.8 -72.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -54.82 143.91 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -111.84 -21.05 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.468 ' CD ' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -107.18 34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.432 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 7.2 tp10 -95.65 -39.87 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.6 p 42.01 48.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 131' ' ' VAL . 89.2 mt -34.42 -44.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 134' ' ' GLU . 84.5 t -137.95 141.9 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.433 ' N ' HG13 ' A' ' 133' ' ' VAL . 25.4 tt0 -127.09 113.11 15.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 t -134.67 149.23 50.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 137' ' ' VAL . 54.7 mtt85 -118.24 127.28 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 136' ' ' ARG . 86.5 t -37.51 -57.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 138' ' ' ARG . 10.9 mtp-105 -40.45 -51.43 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.1 -39.9 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.97 110.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.0 p -79.3 -53.84 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 143' ' ' MET . 33.4 t80 -154.0 157.18 38.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' MET . . . . . 0.424 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.9 OUTLIER -153.1 159.27 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.55 -174.2 39.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.444 ' CG2' ' HG2' ' A' ' 22' ' ' GLN . 34.6 m -115.25 157.26 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -89.45 177.99 44.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 146' ' ' GLY . 55.0 mmtt -34.99 -41.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -107.05 113.96 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.1 m -38.08 -42.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 60.7 m80 -40.82 -46.65 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.502 HG22 ' CZ3' ' A' ' 169' ' ' TRP . 81.7 p -78.52 126.34 30.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -127.37 122.15 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -127.91 162.02 27.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.419 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.3 p90 -153.57 143.44 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 74.9 mt -96.27 130.99 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' MET . . . . . 0.413 ' SD ' ' CG2' ' A' ' 158' ' ' THR . 3.1 ppp? -126.04 156.21 40.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.81 138.38 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.413 ' CG2' ' SD ' ' A' ' 156' ' ' MET . 37.5 p -119.4 -39.02 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -130.04 -143.79 5.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -71.34 -67.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 17.51 16.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -89.38 138.52 31.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -136.93 121.85 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . 0.432 ' OE2' ' CE1' ' A' ' 166' ' ' HIS . 14.6 tt0 -108.72 147.54 31.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.0 t -121.14 127.78 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.432 ' CE1' ' OE2' ' A' ' 164' ' ' GLU . 98.2 m-70 -116.27 110.66 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 11.9 t -88.02 154.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -150.65 162.04 41.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.502 ' CZ3' HG22 ' A' ' 151' ' ' THR . 40.3 t-105 -114.79 140.65 48.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 75.1 m -121.29 155.29 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 85.3 mt-10 -142.23 130.19 11.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.7 -48.56 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.368 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -123.15 161.19 24.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -85.31 37.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -87.15 -31.39 20.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -84.16 -30.47 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 76.3 t -82.17 -48.13 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.7 m -56.68 -38.91 72.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.49 -30.25 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -70.94 -53.35 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 5.2 p -63.47 -32.25 55.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.83 -46.44 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.3 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -94.94 137.19 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -158.47 148.47 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.82 57.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p -68.05 138.32 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -127.01 114.74 18.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.34 67.34 2.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -78.31 114.69 17.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' ASP . . . -36.92 -64.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.52 129.33 44.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.43 134.59 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -62.31 150.58 84.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.537 0.684 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -11.02 29.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.3 -33.44 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -73.07 -64.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -40.77 -39.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -67.66 -43.0 81.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD11 ' ND2' ' A' ' 173' ' ' ASN . 18.5 mt -59.83 -57.67 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' LEU . 43.4 m -37.88 -44.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -48.08 -58.25 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -45.4 -38.66 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -72.67 -39.12 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -53.69 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -125.85 -45.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.41 -157.25 15.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.539 ' CD1' ' HE1' ' A' ' 143' ' ' MET . 23.9 t80 -139.98 105.49 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 0.0 110.937 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -92.42 153.4 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 58.6 t-20 -96.82 110.16 52.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 53.9 Cg_endo -69.76 -42.29 3.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.5 m -46.69 -57.48 4.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -47.52 -55.84 8.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -46.84 -57.64 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -51.34 -51.3 55.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -55.72 -43.65 76.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.75 48.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -45.13 143.92 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -34.47 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -69.01 121.83 17.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -83.84 87.77 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.2 p -53.66 157.02 2.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.66 75.71 0.46 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 87.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -100.75 41.95 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 m -125.71 163.2 23.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.16 -81.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.3 mt -147.42 111.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -141.75 152.72 44.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.35 -141.26 2.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -95.36 153.84 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.64 128.86 3.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -155.09 -179.85 8.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.883 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 m -151.04 163.41 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.39 158.3 15.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 t -166.93 164.87 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -158.34 156.02 29.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.74 -173.91 13.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.7 m -133.82 132.24 40.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -114.49 150.17 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.49 -155.33 13.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 p -164.39 150.82 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -135.73 131.68 35.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.62 114.15 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.94 9.61 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.7 p -66.74 145.83 98.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.551 0.691 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 170.66 16.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.34 32.73 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.6 t -55.39 120.12 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.6 1.33 46.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.8 143.81 52.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -165.04 145.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -112.02 134.43 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -120.37 122.65 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.64 150.82 37.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.67 114.22 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.15 -178.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 46.8 mt-30 -113.04 163.61 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -122.21 102.95 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.469 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 6.5 mp -68.42 -38.61 81.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.58 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.547 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 6.0 ttp -94.42 124.54 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.92 120.12 24.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 142.74 48.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.37 161.82 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -85.01 -34.55 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -124.04 150.62 63.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -18.88 36.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.6 m -142.98 170.05 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.89 128.92 3.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.29 -57.84 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.21 -53.23 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.2 m -51.47 -44.2 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.44 -52.1 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.42 -47.37 81.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -39.54 -49.1 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' ASN . . . -62.14 -58.22 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -42.41 -45.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.38 -30.37 66.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' ALA . 10.9 t-20 -65.84 -44.01 86.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.3 mt -82.23 -33.96 29.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.8 t -75.78 -23.65 55.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -65.25 -53.75 39.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 p -124.18 -177.95 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 75.4 m -100.87 166.79 10.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.471 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 33.7 tttm -59.36 -42.9 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -71.5 -42.9 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.47 -34.86 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 10.5 m0 -59.18 121.01 52.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 130.56 19.62 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.2 p -60.51 120.23 9.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.8 m -128.25 168.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -122.87 136.05 54.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 37.3 ttm -89.39 100.08 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 35.0 t-20 -86.14 96.5 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.4 t -100.13 105.46 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.48 140.51 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.5 t0 54.58 43.02 30.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 54.76 40.28 31.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 49.7 m -134.7 119.08 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 135' ' ' CYS . 77.6 t -91.25 106.84 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 123' ' ' ILE . 33.9 m -120.78 124.48 45.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.3 t -89.62 98.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 14.1 mm -94.32 137.11 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.8 t -53.52 158.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.42 -47.81 18.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -95.4 28.98 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.72 166.24 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 13.6 tt0 -129.13 -34.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.86 31.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.433 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 4.9 tp10 -96.65 -41.04 8.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.1 p 38.0 47.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 131' ' ' VAL . 80.4 mt -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 77.0 t -137.79 134.98 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.62 106.75 12.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' VAL . 42.1 t -123.55 139.89 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -116.8 125.21 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 99.3 t -39.73 -51.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -42.04 -41.88 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -78.32 -35.74 47.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.425 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 tt -45.54 115.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.4 p -85.96 -51.12 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -151.35 142.63 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' MET . . . . . 0.539 ' HE1' ' CD1' ' A' ' 26' ' ' TYR . 3.2 ptt? -138.4 144.11 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -161.89 -157.75 9.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.88 176.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -112.71 -169.24 17.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.6 mtpp -35.0 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.58 120.9 41.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 27.6 m -44.17 -27.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -53.43 -43.55 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 58.4 p -80.09 124.43 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.4 115.14 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.86 152.56 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.89 144.3 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 65.7 mt -98.59 115.87 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -118.96 171.71 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.406 ' C ' ' SD ' ' A' ' 156' ' ' MET . 0.5 OUTLIER -114.02 120.25 39.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.7 p -85.52 -50.96 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -102.89 -126.06 5.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -89.34 -65.12 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.531 ' O ' ' CZ ' ' A' ' 163' ' ' PHE . 7.5 mm-40 -109.55 0.19 19.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.99 134.21 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.531 ' CZ ' ' O ' ' A' ' 161' ' ' GLN . 2.4 m-85 -130.8 117.27 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -109.5 154.65 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.61 120.77 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.547 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.5 m-70 -105.41 120.07 40.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . 0.415 ' CG1' HD13 ' A' ' 78' ' ' LEU . 45.9 t -96.66 137.63 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 82.6 m-85 -141.18 127.97 20.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -83.98 130.32 34.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 71.4 m -110.66 157.51 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.496 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 9.2 mm-40 -144.12 130.17 9.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.72 -48.76 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.306 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.429 ' ND2' HD11 ' A' ' 18' ' ' LEU . 45.1 p30 -119.06 173.79 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.47 35.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -58.34 -43.27 88.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.49 -61.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 58.1 m -55.55 -26.98 46.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -77.36 -48.71 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -54.92 -53.98 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.94 -44.62 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -51.04 -50.69 58.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -56.17 -38.12 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.91 67.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -79.79 152.16 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -158.02 112.56 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.76 148.35 19.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -81.37 95.18 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 p -77.89 129.77 35.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.01 43.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -55.07 150.26 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.35 -64.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.88 145.74 25.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 p -85.15 144.19 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -83.54 151.14 61.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -96.4 -28.48 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.06 -41.89 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -42.62 -40.78 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -74.68 -41.98 59.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.62 -32.96 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -52.98 -56.23 17.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -47.16 -48.92 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 mtt -53.99 -35.39 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -75.86 -41.8 51.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -52.99 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -124.52 -47.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.71 -166.13 12.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -123.38 106.74 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.938 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -95.05 148.41 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -94.46 117.19 67.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -41.02 4.61 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.248 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.3 m -49.99 -47.01 53.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 40.6 t80 -55.58 -66.97 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' PHE . 16.8 ttmt -51.68 -58.85 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 32' ' ' LYS . 4.7 t80 -35.06 -49.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -54.98 -51.05 67.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' OE2' ' CD2' ' A' ' 31' ' ' TYR . 1.3 mp0 -55.83 -58.1 9.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' MET . 14.4 mm-40 -85.05 43.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 36' ' ' GLN . 1.3 ttm -34.06 111.79 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -99.39 151.18 21.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -75.07 179.79 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -134.5 -54.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.51 146.78 18.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.518 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 89.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -102.52 126.28 49.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.2 p -105.71 -55.78 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.01 -159.48 28.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.464 HD13 ' N ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -108.7 122.83 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' N ' HD13 ' A' ' 46' ' ' ILE . 6.0 tp10 -50.42 145.83 5.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.15 -163.02 42.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' NE ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -145.62 168.1 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.8 73.2 1.05 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -171.23 126.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 t -156.02 123.44 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.76 71.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.4 p -160.53 120.0 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.863 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 p -93.36 -4.52 51.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.82 126.23 0.46 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.9 t -123.56 83.78 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.6 p -148.72 159.27 44.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.45 -151.94 5.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.6 t -162.66 136.11 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 0.0 110.817 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.6 m -134.91 113.55 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.08 75.84 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.48 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 p -73.07 142.73 82.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.711 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.74 43.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.224 . . . . 0.0 112.344 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -91.45 138.48 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 p -84.38 147.75 26.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -101.01 -5.16 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 ' C ' HG21 ' A' ' 70' ' ' VAL . 1.9 pt? -113.08 173.07 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.415 HG21 ' C ' ' A' ' 69' ' ' LEU . 48.6 t -155.2 135.41 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -100.58 128.51 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -123.98 116.59 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.07 155.37 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.59 126.41 44.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.3 m -154.04 173.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 37.7 mt-30 -109.45 153.81 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -111.63 101.99 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.2 mp -65.24 -43.1 92.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 142.83 174.44 15.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.521 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 15.1 ttp -93.14 130.24 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.7 121.26 23.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 134.79 28.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.65 164.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.57 -23.24 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -120.5 144.09 37.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 54.0 Cg_endo -69.68 -24.77 29.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -142.51 177.53 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.95 10.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -78.29 -57.25 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.51 -21.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.7 m -88.69 -48.52 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.36 -44.58 94.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -61.58 -55.49 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -40.57 -45.27 2.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.1 -50.93 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.0 mt -46.54 -62.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.28 -43.88 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -48.48 -52.17 23.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.8 mt -70.5 -40.72 73.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.3 mtt -51.78 -45.66 63.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -19.56 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.2 t -71.46 -45.45 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -135.52 178.02 7.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.432 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 1.2 m -98.53 166.07 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.1 tttm -59.9 -30.37 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -78.42 -37.05 44.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.03 -33.47 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.475 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 5.3 m0 -63.93 117.22 33.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.526 0.679 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 126.34 13.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.4 m -62.73 111.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 m -112.63 -176.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -131.07 138.76 49.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 21.3 ttm -93.3 110.24 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 114' ' ' ASN . 28.5 t-20 -93.88 97.17 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.38 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.19 142.92 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.8 t0 52.01 38.4 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 55.94 40.2 30.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 16.9 m -131.77 117.6 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.73 107.71 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.6 m -124.53 125.15 43.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.185 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.4 t -89.68 101.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.3 mm -96.6 139.44 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -58.83 153.78 16.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.44 -48.98 53.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 19.0 pttm -79.31 -50.5 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 50.2 m-20 -88.3 146.85 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -105.18 -32.34 8.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.15 40.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -100.24 -33.2 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 130' ' ' GLU . 10.9 p 34.13 48.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' A' ' 130' ' ' GLU . 88.1 mt -34.51 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 134' ' ' GLU . 74.2 t -143.68 138.93 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.429 ' N ' HG12 ' A' ' 133' ' ' VAL . 7.8 tt0 -122.61 110.58 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.47 152.29 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -128.29 128.79 45.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.9 t -40.34 -46.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -50.71 -41.22 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' A' ' 157' ' ' ASP . 8.9 m-85 -76.68 -36.54 57.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.1 tt -45.36 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.4 p -72.28 -46.18 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -154.67 155.55 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 1.8 ptt? -151.19 155.08 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -170.14 -168.81 32.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.48 165.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -95.44 178.06 35.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 146' ' ' GLY . 16.8 ptmt -36.71 -36.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.19 120.73 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 14.5 m -45.61 -30.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 70.3 m80 -52.84 -38.65 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.569 HG21 ' CE3' ' A' ' 169' ' ' TRP . 54.9 p -86.64 134.62 33.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -136.12 115.82 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -121.78 159.26 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.421 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.6 p90 -147.31 145.59 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 91.0 mt -101.03 133.55 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -130.79 164.48 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' A' ' 139' ' ' PHE . 5.2 p-10 -105.74 123.07 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 6.2 p -96.45 -54.99 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -107.84 -133.93 7.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -73.67 -68.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.483 ' O ' ' CE2' ' A' ' 163' ' ' PHE . 5.5 mp0 -114.96 2.55 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -70.7 137.05 49.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.483 ' CE2' ' O ' ' A' ' 161' ' ' GLN . 9.6 m-85 -137.82 134.75 35.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -120.01 150.12 41.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.1 t -117.46 109.99 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.521 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 96.8 m-70 -96.79 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.6 t -96.82 136.16 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 54.5 m-85 -136.22 153.87 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.569 ' CE3' HG21 ' A' ' 151' ' ' THR . 29.6 t-105 -103.4 129.61 50.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 83.7 m -114.93 152.07 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.546 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 29.1 mt-10 -142.72 139.63 17.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.348 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -121.91 161.58 22.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.85 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -69.9 -46.35 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.07 -43.47 71.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.2 -61.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.0 p -54.88 -17.28 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.13 -46.43 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.69 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -80.4 -36.81 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -60.45 -46.09 91.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.71 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -55.09 -46.87 75.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 37.95 42.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 p -92.25 157.09 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.23 -179.56 18.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -46.17 137.31 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.2 p -135.75 163.35 30.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.13 138.23 6.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -169.9 176.02 4.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.66 -53.58 17.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 128.48 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -47.63 140.8 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -75.62 151.63 84.98 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.565 0.698 . . . . 0.0 111.18 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -9.97 27.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.252 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -95.42 -45.02 7.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -56.12 -41.5 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -40.58 -56.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -62.01 -42.68 99.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -55.1 -45.02 75.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.6 t -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -54.36 -54.72 36.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.5 mmt -45.02 -37.66 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -79.78 -41.17 27.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -50.77 -58.13 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -130.02 -45.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.31 -167.8 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.422 ' CD2' ' NE2' ' A' ' 182' ' ' GLN . 26.0 t80 -134.88 114.76 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.952 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -103.22 155.14 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -90.91 113.28 57.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -49.57 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.0 m -50.45 -39.84 48.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -60.67 -50.64 72.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -12.23 60.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' PHE . 6.2 t80 -75.33 136.25 40.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER 32.94 51.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 36' ' ' GLN . 11.4 pt-20 -79.43 -40.85 28.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 18.2 tt0 -54.58 155.7 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -131.5 172.7 11.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -98.81 125.45 44.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -101.06 119.09 38.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -54.33 -53.57 52.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.59 68.11 0.73 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.41 33.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -109.32 132.41 54.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -118.0 170.91 8.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.83 108.25 2.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.0 mt -137.09 130.79 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -95.72 127.32 41.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.68 -68.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -95.09 166.83 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -178.69 101.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.3 p -141.46 135.6 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -157.83 124.71 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.26 123.69 1.3 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m -166.03 114.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.827 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -126.04 144.84 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -167.44 122.84 1.07 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.545 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -131.55 137.84 48.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 p -118.89 -52.23 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.34 50.65 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.2 t -56.22 161.53 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.3 p -142.98 121.9 12.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.78 174.62 41.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 122.48 9.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 9.0 m -86.96 136.53 34.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 53.7 Cg_endo -69.79 164.16 35.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -136.35 116.12 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.0 m -130.79 144.14 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.96 11.85 34.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.4 mt -118.59 157.29 27.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.3 p -174.97 140.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.93 126.19 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -116.96 120.85 39.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.24 159.74 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -102.09 121.42 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -154.58 173.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -111.63 160.3 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CD1' ' CE1' ' A' ' 168' ' ' PHE . 14.3 t80 -120.03 103.62 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mp -65.43 -49.62 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.69 167.29 14.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.55 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 14.4 ttp -78.38 124.91 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.5 117.27 21.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 149.87 67.31 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 m -127.7 158.58 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.09 -36.77 34.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -119.81 149.85 49.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.71 37.52 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.403 HG11 ' CB ' ' A' ' 142' ' ' PHE . 18.5 m -145.41 173.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.88 117.36 3.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -56.08 -55.46 32.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.2 -35.13 3.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -77.16 -50.61 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.42 -53.78 54.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -55.72 -35.34 66.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -65.56 -45.99 81.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.55 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.434 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 90.5 mt -55.9 -53.36 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -60.71 -42.37 97.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -45.98 -36.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 32.2 mt -86.85 -48.49 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.67 -34.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -87.02 -39.91 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.9 p -58.73 -34.06 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -140.75 154.89 46.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.455 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 40.4 m -84.44 159.59 20.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.541 ' HA ' ' CH2' ' A' ' 108' ' ' TRP . 79.4 tttt -49.83 -45.21 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -71.89 -44.84 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.92 -39.76 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.541 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 2.8 m0 -58.77 119.96 41.72 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.553 0.692 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.77 13.72 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.1 m -59.79 117.26 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.38 178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -131.23 141.21 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.0 tpp -93.99 107.65 19.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -94.55 98.38 10.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 84.7 t -103.73 110.71 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.37 133.93 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 t0 56.07 44.02 26.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 56.68 42.11 27.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -134.44 113.97 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -92.01 102.41 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 28.8 m -117.6 119.72 35.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.9 97.82 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.2 mm -93.52 133.32 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -58.52 147.73 30.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.1 -55.17 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -69.78 -63.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -78.52 138.38 38.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -97.66 -35.14 10.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.07 41.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -99.55 -32.48 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 130' ' ' GLU . 7.7 p 35.31 48.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' VAL . 71.5 mt -35.55 -44.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.6 t -137.89 140.51 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -125.75 109.21 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 42.5 t -128.27 150.62 49.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 137' ' ' VAL . 50.4 mtt85 -125.83 121.63 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 136' ' ' ARG . 57.9 t -34.43 -46.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -46.36 -49.38 17.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -71.14 -36.88 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.7 tt -39.12 118.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 77.6 p -88.41 -50.66 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.404 ' CG ' ' N ' ' A' ' 143' ' ' MET . 35.2 t80 -151.75 155.82 39.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 3.5 ptp -145.76 144.88 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -167.53 171.87 42.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.3 m -107.32 157.24 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -89.22 -177.95 45.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.6 OUTLIER -35.92 -44.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.67 119.13 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.04 -23.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -60.02 -40.42 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 45.6 p -80.88 129.32 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -135.54 114.46 12.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.46 167.98 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -150.79 140.03 21.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.25 121.04 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 8.9 ptm -118.8 167.27 11.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -106.15 105.51 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p -82.52 -55.73 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -100.29 -143.21 13.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -69.7 -70.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.43 ' O ' ' CZ ' ' A' ' 163' ' ' PHE . 15.9 mp0 -116.41 14.88 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.4 mpt_? -75.96 148.19 38.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.28 124.84 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -116.83 147.1 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 51.8 t -115.05 106.48 14.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.1 m-70 -97.0 107.6 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 11.6 t -89.16 148.29 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 84.0 m-85 -148.85 136.29 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -89.06 139.65 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 69.8 m -121.62 161.68 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 18.4 mt-10 -149.77 131.73 7.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.74 . . . . 0.0 110.934 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.9 Cg_endo -69.77 -49.43 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.366 0.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -120.5 172.21 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.55 40.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -83.92 -56.72 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -61.55 -39.99 93.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.93 -59.9 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.9 m -55.8 -42.41 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.94 -50.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.54 -60.14 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.98 -42.56 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.422 ' NE2' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -47.11 -44.72 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.82 -46.84 86.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -51.66 -44.61 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 t -52.27 -61.35 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -78.35 142.59 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.01 63.46 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 t -69.29 144.66 53.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 p -88.41 -45.9 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.25 67.24 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -135.06 160.33 38.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.2 -64.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.4 158.13 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 p -98.9 150.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -79.37 152.74 76.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 111.176 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.26 11.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -95.62 -57.66 2.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ARG . 16.1 mt-10 -47.21 -55.93 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 37.5 mtp180 -36.18 -53.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -61.69 -45.75 92.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' MET . 59.2 mt -61.16 -63.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' LEU . 16.2 p -35.87 -41.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -61.33 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.2 mmt -50.18 -21.77 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -95.93 -33.57 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.17 -73.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' ND2' ' N ' ' A' ' 24' ' ' ASN . 0.7 OUTLIER -106.77 -37.55 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.34 -174.24 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -117.65 96.69 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -89.71 142.72 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -80.89 118.25 71.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -27.21 26.78 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.653 2.235 . . . . 0.0 112.308 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.3 m -77.31 -59.88 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -45.03 -45.56 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -67.62 -28.16 67.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.09 -48.42 76.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.44 75.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -114.06 -31.42 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -50.38 162.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.8 mmt -66.37 117.23 8.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -55.19 126.01 23.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -89.99 88.87 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.6 m -165.97 116.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.97 128.43 3.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' SER . 53.3 Cg_endo -69.81 -5.77 17.04 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' PRO . 67.4 m -35.05 -42.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -125.75 111.52 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.6 62.8 0.63 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.6 pp -148.26 146.11 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.37 84.95 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.32 -173.46 36.24 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -42.6 -30.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.68 -149.61 25.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.8 p -172.3 176.38 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.2 p -102.09 171.69 7.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -149.26 -168.68 15.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 t -173.05 152.28 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -119.59 -53.04 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.23 -135.26 8.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.5 p -111.44 165.43 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.6 p -120.22 -53.83 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.68 -158.17 22.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m -70.16 142.94 52.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 t -99.8 48.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.56 164.47 0.42 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 135.02 29.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.636 2.224 . . . . 0.0 112.349 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.22 131.3 21.61 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.565 0.698 . . . . 0.0 111.106 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 134.06 27.08 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.57 144.43 30.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 p -52.84 171.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -103.48 -3.7 25.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.69 146.82 51.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 116' ' ' ALA . 3.0 p -171.11 142.97 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 27.2 mt-30 -116.03 147.44 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -129.93 119.31 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.468 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 26.6 m-85 -119.27 158.43 26.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' C ' HG13 ' A' ' 75' ' ' VAL . 1.5 tmm_? -99.2 121.24 40.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.406 HG13 ' C ' ' A' ' 74' ' ' ARG . 27.6 m -147.73 177.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -117.44 154.56 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CD1' ' CE2' ' A' ' 168' ' ' PHE . 11.0 t80 -110.32 107.03 16.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.3 mp -70.42 -37.66 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.62 -172.05 22.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.553 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 9.1 tmm? -104.96 129.76 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 82' ' ' PRO . 1.4 tm? -126.55 123.67 24.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.58 0.705 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.415 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.78 137.58 35.74 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -119.34 178.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -113.49 -24.19 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -119.53 144.63 37.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -21.97 33.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 m -144.83 176.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.81 139.49 5.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.447 ' CE ' ' HA ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -72.68 -53.75 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -55.95 -44.39 78.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.3 m -60.5 -55.77 29.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.6 tt -57.5 -50.28 73.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -62.32 -36.94 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.6 t -51.93 -37.11 51.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.71 -46.91 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 91.7 mt -40.67 -58.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.84 -47.14 85.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -47.31 -47.71 25.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 102' ' ' SER . 58.7 mt -74.91 -48.54 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 mtt -44.0 -39.27 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -80.49 -25.0 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' LEU . 32.5 t -69.24 -39.48 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -135.1 160.43 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.485 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.2 t -79.6 173.28 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -71.94 -12.83 61.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -95.82 -37.81 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.39 -24.89 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.486 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 8.8 m0 -71.24 116.11 43.62 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.95 22.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.733 2.289 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.4 m -66.98 104.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 m -107.29 167.26 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -115.97 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 22.5 tpp -87.39 113.33 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.423 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 16.8 t-20 -98.96 98.28 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.78 99.04 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.452 ' HB2' ' CG2' ' A' ' 70' ' ' VAL . . . -139.25 132.31 29.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 t70 55.2 37.45 28.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 64.03 36.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 50.3 m -126.59 114.78 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.99 96.4 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.1 m -109.56 110.88 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.464 HG23 ' CE2' ' A' ' 168' ' ' PHE . 93.4 t -77.46 91.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.7 mm -88.35 142.13 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -62.73 160.39 14.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.38 -28.09 27.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -98.49 4.58 48.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -148.43 163.64 36.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.94 -13.35 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.45 16.03 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' VAL . 10.9 tp10 -77.5 -31.09 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.4 p 34.1 47.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' VAL . 75.5 mt -35.55 -43.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 134' ' ' GLU . 67.6 t -142.29 135.04 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.44 ' N ' HG12 ' A' ' 133' ' ' VAL . 34.1 tt0 -115.31 99.71 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -114.43 149.11 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.538 ' HB2' ' CE1' ' A' ' 139' ' ' PHE . 25.6 mtp180 -136.42 147.45 47.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 5.4 t -72.24 -2.14 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -75.23 -35.31 61.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.538 ' CE1' ' HB2' ' A' ' 136' ' ' ARG . 34.4 p90 -120.49 23.64 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.6 tt -78.71 85.23 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.6 p -39.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -151.03 152.27 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -134.66 149.8 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.8 167.72 40.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.1 m -101.77 165.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.11 -173.47 40.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -39.99 -37.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -110.85 127.15 55.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 22.6 m -49.39 -19.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.514 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 26.0 m80 -63.84 -37.68 88.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.4 p -83.92 127.36 33.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -133.47 115.21 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.2 173.7 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.5 p90 -164.17 145.06 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 156' ' ' MET . 66.3 mt -99.74 138.7 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' MET . . . . . 0.455 ' N ' HG21 ' A' ' 155' ' ' ILE . 7.8 ptm -149.07 156.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.14 136.6 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 31.8 p -124.02 18.68 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 106.82 148.6 15.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 162' ' ' ARG . 35.4 m-20 65.01 50.05 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 161' ' ' GLN . 0.3 OUTLIER 35.17 31.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 160' ' ' ASN . 17.0 mmt180 -92.96 150.93 20.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -126.91 122.89 35.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -107.13 169.35 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.85 100.12 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 97.7 m-70 -93.93 124.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 15.2 t -105.98 154.68 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.464 ' CE2' HG23 ' A' ' 122' ' ' VAL . 89.3 m-85 -155.14 143.58 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.514 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 30.3 t-105 -99.76 130.78 46.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.4 m -114.03 163.04 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 61.6 mt-10 -150.7 136.95 10.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.76 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.321 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -125.52 159.41 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -83.25 36.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.81 -44.97 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -74.08 -46.12 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.11 -60.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.8 p -51.92 -39.28 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.4 -44.48 95.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.21 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.02 -37.36 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -61.06 -49.04 78.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.08 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.15 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -157.72 106.37 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -146.84 147.47 30.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.56 -150.8 17.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p 42.14 43.3 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -43.16 -59.88 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 88.89 67.51 1.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 62.7 m-20 -164.56 149.82 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.65 -68.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.75 118.29 26.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -81.12 148.73 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 p -64.41 150.68 92.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.9 27.23 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.68 -38.96 13.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -71.46 -50.9 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -59.84 -15.02 17.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -88.45 -40.08 13.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.0 mt -77.25 -42.16 38.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 m -39.9 -55.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -53.96 -53.24 55.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.5 mmt -47.69 -22.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -95.96 -38.46 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.34 -64.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -124.09 -40.73 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.95 -154.24 16.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 182' ' ' GLN . 33.1 t80 -140.22 107.33 5.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -89.31 149.58 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 49.9 t-20 -91.07 113.71 59.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.95 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.5 m -42.57 -43.64 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -55.77 10.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -50.7 -33.53 23.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -38.71 -66.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.98 48.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 2.1 pp20? -77.24 47.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -111.61 100.97 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 mtm -117.6 88.31 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -172.09 146.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -91.35 120.7 32.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -129.32 167.54 17.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.45 88.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 135.06 29.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 t -110.86 178.82 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.9 t -169.1 173.58 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.09 155.08 26.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.8 pt -138.85 138.77 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 111.11 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -107.53 157.58 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.25 129.2 3.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -51.19 102.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.13 -177.73 26.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.6 m -152.6 172.38 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 t -173.84 143.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.89 169.98 19.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.5 p -160.63 156.15 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t -161.23 167.93 25.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.58 159.63 10.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 m -153.48 122.64 6.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -117.89 90.68 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.25 173.11 51.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.7 p -164.72 173.73 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 m -95.59 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.43 160.92 28.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.65 26.88 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.37 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 88.1 m -108.89 138.62 20.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.723 . . . . 0.0 111.144 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 54.0 Cg_endo -69.76 -173.08 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.737 2.292 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 167.05 13.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.0 t -99.5 138.9 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -111.12 111.58 22.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -51.15 179.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p -117.09 149.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -114.69 126.3 54.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -120.71 161.72 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.49 120.31 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.85 -176.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -121.73 160.85 23.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.91 111.96 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.51 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.8 mp -72.22 -43.66 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.03 -175.99 28.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.417 ' HG2' ' CD ' ' A' ' 164' ' ' GLU . 11.7 ttp -99.4 118.99 37.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.38 114.9 18.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 161.51 45.66 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.16 164.86 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -89.58 -31.22 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.72 152.5 77.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -20.4 34.72 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.3 m -139.53 176.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.02 125.07 4.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -59.68 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -44.66 -36.37 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.7 m -73.71 -53.39 10.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.8 -52.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' SER . 25.7 m-20 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 47.2 t -36.74 -45.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -61.1 -56.87 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' ALA . 69.2 mt -36.37 -53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -44.61 -53.65 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 54.6 mt -69.87 -42.32 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.7 mmt -46.25 -51.73 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -78.25 -19.33 53.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -62.6 -48.3 80.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -136.31 179.02 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.3 m -95.85 166.69 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.566 ' HD2' ' CZ3' ' A' ' 108' ' ' TRP . 17.6 tptp -61.87 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -73.29 -29.15 62.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -67.09 -21.01 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ3' ' HD2' ' A' ' 105' ' ' LYS . 13.7 m0 -78.7 115.49 52.23 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.56 0.695 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.98 46.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.9 m -70.49 131.49 44.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.61 162.83 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -115.72 130.19 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 27.8 tpp -85.71 106.5 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -95.33 97.64 9.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.22 103.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.31 141.04 35.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 49.75 41.8 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 137' ' ' VAL . . . 59.26 36.8 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.4 m -128.4 119.75 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.47 102.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -116.69 117.75 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 65.2 t -86.26 106.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.4 mm -99.64 143.57 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -79.36 148.68 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -41.58 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -59.87 -59.25 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -122.65 145.65 48.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.451 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 1.8 mp0 -88.55 -20.39 25.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -95.01 36.13 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 131' ' ' VAL . 21.0 tp10 -104.22 -30.7 10.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.2 p 35.08 52.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' VAL . 74.1 mt -36.65 -43.23 0.4 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.9 t -142.81 134.73 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -121.03 103.48 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -120.09 140.16 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -116.72 123.59 47.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 118' ' ' ALA . 60.2 t -42.92 -43.15 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -49.2 -45.63 44.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.06 -34.78 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.428 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.0 tt -46.54 125.94 7.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.7 p -95.59 -59.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -144.72 153.67 41.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -153.78 163.91 39.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.04 -167.15 35.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 17.4 m -119.62 156.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.129 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -90.14 178.13 43.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.7 OUTLIER -34.59 -42.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -103.79 115.33 30.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.0 m -42.47 -37.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -45.65 -41.08 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 35.9 p -78.27 135.79 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.09 117.04 11.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -130.18 165.1 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -152.07 145.18 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 72.6 mt -95.78 124.84 48.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.1 ptm -125.88 166.51 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 123.78 50.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.3 p -101.21 -10.24 20.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -148.03 -141.16 3.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -81.35 -67.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.319 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -111.15 17.62 20.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.428 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 3.4 mmp_? -95.34 137.18 34.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -137.49 117.24 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . 0.455 ' OE1' ' CE1' ' A' ' 166' ' ' HIS . 4.1 tm-20 -106.98 156.35 18.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 164' ' ' GLU . 4.6 t -125.04 125.33 43.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.455 ' CE1' ' OE1' ' A' ' 164' ' ' GLU . 97.4 m-70 -113.74 113.06 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 168' ' ' PHE . 24.8 t -90.19 149.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.418 ' N ' HG11 ' A' ' 167' ' ' VAL . 89.0 m-85 -147.43 138.3 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.474 ' CE2' ' HE2' ' A' ' 105' ' ' LYS . 51.1 t-105 -91.35 134.08 34.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 75.8 m -111.11 150.16 29.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.7 mt-10 -137.47 127.34 15.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -49.96 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.307 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 35.5 p-10 -123.1 169.52 11.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.46 36.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -69.53 -45.99 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -79.92 -54.52 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 86.1 t -43.31 -62.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.2 t -60.71 -28.96 69.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.31 -29.18 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -73.27 -52.24 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.55 -35.62 73.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.551 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 33.4 tt0 -57.49 -47.6 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -45.82 -41.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -113.84 -54.36 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.89 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -58.9 120.02 8.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.06 84.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -138.65 132.4 30.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -142.34 161.32 38.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.24 143.67 17.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -146.34 138.94 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.25 -56.79 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.07 117.46 34.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.03 152.64 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.3 p -77.23 151.18 81.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -7.65 21.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -95.37 -52.13 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.48 -51.58 53.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -43.64 -58.21 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -47.71 -52.56 17.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' MET . 13.7 mt -57.38 -52.83 63.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' LEU . 64.8 m -35.13 -49.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -56.69 -46.6 81.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 mtt -53.94 -38.92 65.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -68.37 -41.18 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -49.59 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -130.04 -41.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.77 177.12 18.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -130.68 95.74 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -72.61 176.98 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.916 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.431 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 37.2 t30 -97.83 107.48 40.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -27.0 26.94 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 p -67.65 -43.12 81.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -58.31 -57.86 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -27.07 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.929 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.3 -55.13 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.78 -44.96 82.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 1.2 pp20? -82.02 41.3 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 37' ' ' MET . 24.7 tp60 -86.99 143.1 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.416 ' N ' ' HG3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -71.61 90.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -78.4 154.62 30.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -126.79 146.08 50.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.1 t -174.58 159.58 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 76.94 0.74 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -42.76 3.16 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.7 t -116.28 149.63 38.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.6 p -50.83 -45.82 59.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.15 157.13 11.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.8 mt -83.16 74.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.88 101.16 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.02 179.37 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.55 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -77.95 -44.99 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.64 142.42 46.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 82.3 p -68.99 125.32 26.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -159.76 149.38 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.14 -179.69 40.78 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 m -60.76 144.61 52.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 m -42.71 -51.81 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.76 63.48 0.4 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -134.98 106.26 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.2 p -113.53 157.25 22.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.76 152.06 12.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -174.16 148.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -103.29 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.67 139.57 5.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 132.73 23.98 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.403 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 3.0 m -123.27 134.84 25.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.538 0.685 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 53.7 Cg_endo -69.81 162.64 41.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -151.29 135.0 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.3 t -86.23 163.1 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -114.85 24.43 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -140.67 173.39 11.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' CG2' ' OD1' ' A' ' 114' ' ' ASN . 3.2 p -166.23 146.63 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.148 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -107.52 142.55 37.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -132.64 109.9 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.68 152.4 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.464 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 3.1 tmt_? -92.21 128.59 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 28.4 m -160.31 175.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -120.28 152.62 37.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -103.74 117.95 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.03 -57.5 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.16 -171.02 42.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.48 ' HE1' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -109.42 100.28 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.48 ' N ' ' HE1' ' A' ' 80' ' ' MET . 0.3 OUTLIER -106.01 122.58 41.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.471 ' N ' ' HE3' ' A' ' 80' ' ' MET . 53.9 Cg_endo -69.74 156.59 63.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.4 m -128.29 153.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -85.42 -30.61 23.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -124.46 150.48 64.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.08 30.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.8 m -140.71 164.98 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.62 121.26 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmt -53.97 -57.92 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.319 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.38 -46.78 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.2 m -61.16 -43.77 98.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.95 -54.62 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.33 -53.44 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -38.55 -46.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.7 -55.12 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 59.9 mt -38.23 -68.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.97 -52.67 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.98 -42.37 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.1 mt -80.92 -40.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 12.1 mtp -49.68 -45.72 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 t -77.69 -29.66 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.1 m -61.27 -51.93 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -118.82 177.82 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -101.85 156.8 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 66.2 tttt -52.41 -45.28 65.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -43.73 -39.48 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.437 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 9.2 m0 -56.08 123.07 52.03 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 140.68 43.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.353 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.5 p -67.36 119.46 12.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.6 m -131.13 173.28 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -131.87 152.83 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.1 ttm -101.13 104.2 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 31.4 t-20 -90.39 97.05 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.3 110.1 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.93 126.86 10.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.1 t0 62.65 37.35 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.448 ' CA ' HG21 ' A' ' 137' ' ' VAL . . . 62.0 43.16 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -132.3 115.53 15.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.9 t -90.1 101.13 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.7 m -116.77 119.22 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 62.3 t -85.62 105.25 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.3 mm -103.23 129.88 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -53.26 139.34 29.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -65.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -69.98 -71.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -58.44 131.04 49.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.86 -28.1 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -102.48 40.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.413 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 7.2 tp10 -98.66 -38.43 9.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.6 p 40.67 47.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.413 ' HG ' ' CG ' ' A' ' 130' ' ' GLU . 67.9 mt -37.39 -47.42 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.6 t -134.47 139.33 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -125.06 105.09 8.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.9 t -124.04 151.99 43.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 139' ' ' PHE . 27.1 mtp180 -127.74 128.4 45.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.448 HG21 ' CA ' ' A' ' 118' ' ' ALA . 90.9 t -37.47 -47.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -51.39 -43.37 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 22.5 m-85 -74.66 -32.84 62.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 tt -43.06 137.41 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 80.5 p -108.6 -41.95 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.565 ' CG ' ' N ' ' A' ' 143' ' ' MET . 15.0 t80 -155.0 165.12 37.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' MET . . . . . 0.565 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 4.5 ptp -159.11 152.14 22.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -178.8 -156.49 17.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.3 m -138.46 155.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 111.1 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -85.21 -178.89 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.8 mtmm -35.36 -42.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.3 121.7 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 26.3 m -44.22 -26.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 76.4 m80 -53.95 -41.74 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 76.2 p -84.78 124.71 31.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -128.72 116.88 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -122.86 166.25 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 20.9 p90 -151.24 137.27 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 74.2 mt -96.45 124.93 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.7 ptm -122.17 166.88 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.18 115.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 68.1 p -90.36 -49.87 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -104.29 -147.74 17.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -70.4 -66.54 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.5 20.97 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -94.52 142.05 27.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -107.75 146.25 32.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 7.9 t -114.31 116.54 29.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 168' ' ' PHE . 93.3 m-70 -109.1 109.72 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 17.9 t -89.58 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 95.3 m-85 -143.93 136.97 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -86.19 136.34 33.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.78 148.6 45.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 23.4 mm-40 -139.92 134.13 15.73 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.7 -48.32 0.27 Allowed 'Cis proline' 0 C--N 1.34 0.117 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.347 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -118.13 176.99 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -104.33 38.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -83.23 -61.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -54.18 -40.01 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.5 t -68.51 -50.93 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.5 m -58.58 -55.0 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -58.23 -38.18 76.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -59.28 -60.31 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 182' ' ' GLN . 14.7 p -61.05 -40.84 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.411 ' N ' HG12 ' A' ' 181' ' ' VAL . 11.8 tt0 -58.51 -50.69 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.49 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.27 98.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 99.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -121.34 42.47 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m 45.16 43.26 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.15 101.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -150.14 140.95 22.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -167.2 171.53 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.15 125.04 4.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.16 143.22 50.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -172.87 175.11 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.87 115.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p -98.77 149.86 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -83.02 152.65 65.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -8.07 22.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.641 2.227 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -94.99 -55.85 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' LEU . 40.3 mt-10 -44.01 -44.81 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' GLU . 20.6 mmm180 -37.6 -40.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -71.89 -42.81 66.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' GLU . 17.7 mt -64.27 -51.55 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' GLN . 16.3 m -40.36 -51.29 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -40.49 -40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' A' ' 178' ' ' SER . 6.5 mtt -61.33 -39.29 89.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' SER . 94.4 mt-30 -72.31 -27.1 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -60.33 -63.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -124.07 -48.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.59 -176.64 16.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.463 ' CD1' ' HE1' ' A' ' 143' ' ' MET . 31.7 t80 -122.42 102.57 8.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -85.45 158.3 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -101.09 113.75 65.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -42.15 3.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.297 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.4 m -52.53 -44.16 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -64.57 -47.21 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -90.87 52.8 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -129.57 -51.36 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -79.7 -35.98 38.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.64 -42.75 84.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -45.23 135.23 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.35 134.85 49.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -100.94 100.91 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -71.85 175.23 5.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.0 p -162.61 149.14 12.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.95 72.89 0.43 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -6.89 19.7 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.692 2.261 . . . . 0.0 112.294 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -102.93 85.53 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 t -43.79 -62.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.81 -179.11 1.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 pt -144.63 141.74 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.38 175.62 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.07 106.21 1.4 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -136.08 -179.03 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.91 174.74 4.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.5 m -129.96 167.24 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.2 m -113.94 167.99 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.78 -168.64 13.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 p -169.01 156.68 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -164.97 167.58 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.23 175.04 31.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -156.34 159.61 38.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.5 m -149.18 152.57 36.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.88 114.48 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.546 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -122.53 159.91 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.2 p -156.5 -177.41 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.87 141.16 5.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 169.78 18.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.9 p -42.05 128.68 2.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.518 0.675 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -166.22 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.96 33.66 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.9 m -67.11 128.19 35.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -124.74 -7.84 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.8 mt -114.45 154.06 28.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 p -168.23 135.21 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.435 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 27.0 mt-30 -104.03 119.94 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -107.8 120.33 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 94.7 m-85 -116.97 153.43 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -99.16 118.12 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -150.59 171.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -107.9 162.29 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -118.87 106.52 12.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.3 mp -69.42 -36.73 76.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.9 -172.88 22.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.521 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.542 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 15.3 ttp -99.58 139.01 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -141.77 117.8 7.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.949 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.445 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.79 147.87 63.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 m -123.86 177.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -107.02 -28.43 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -122.69 146.22 47.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -19.99 35.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.2 m -141.69 167.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.5 124.45 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.9 mmm -59.41 -52.6 64.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.39 -47.46 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.5 m -57.63 -56.93 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 93' ' ' ASN . 7.0 tt -61.47 -62.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.438 ' N ' HD21 ' A' ' 92' ' ' LEU . 15.9 m-20 -43.2 -43.84 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -48.04 -48.93 32.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.33 -46.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.7 mt -46.54 -52.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.75 -35.74 82.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.9 -45.84 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.6 mt -76.87 -39.74 50.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.1 mtt -48.73 -50.39 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 t -72.15 -18.2 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t -70.23 -50.03 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.6 m -127.27 165.93 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.6 m -88.21 157.6 18.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.474 ' HA ' ' CE3' ' A' ' 108' ' ' TRP . 58.8 tttt -49.62 -46.8 49.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.6 -44.99 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.33 -26.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.474 ' CE3' ' HA ' ' A' ' 105' ' ' LYS . 31.0 m0 -66.86 121.33 77.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 122.2 8.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.1 m -63.01 108.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.4 m -111.08 170.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -118.34 141.21 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.8 tpp -96.06 108.65 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -95.61 99.11 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.02 108.89 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.48 134.8 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 t70 56.28 37.37 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 65.44 32.26 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 84.7 m -121.74 120.79 35.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.76 99.66 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.403 HG21 ' CD1' ' A' ' 123' ' ' ILE . 24.5 m -114.86 120.45 40.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -85.16 94.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.2 mm -89.78 136.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.3 t -50.54 168.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.34 -49.61 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -113.55 -59.54 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.83 108.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.445 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 2.1 tp10 -86.49 -13.95 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.73 19.13 20.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.415 ' CG ' HD21 ' A' ' 132' ' ' LEU . 19.1 tp10 -87.83 -42.55 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 132' ' ' LEU . 7.4 p 39.52 48.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -33.44 -39.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 131' ' ' VAL . 53.8 t -146.69 138.49 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -122.61 99.52 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 49.9 t -114.81 150.36 35.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 137' ' ' VAL . 65.0 mtt180 -130.15 119.36 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 136' ' ' ARG . 90.9 t -35.11 -51.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -39.52 -48.74 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.94 -35.67 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 tt -43.9 138.38 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 86.1 p -113.07 -40.13 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 143' ' ' MET . 0.0 OUTLIER -160.44 166.72 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' MET . . . . . 0.682 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 9.7 ptt? -165.5 154.53 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.02 175.62 45.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.96 157.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -89.3 -157.94 33.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -50.29 -53.47 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.71 117.08 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 28.1 m -49.25 -26.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -51.98 -27.95 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 50.1 p -99.51 133.85 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -131.37 121.26 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . 0.401 ' C ' HD13 ' A' ' 92' ' ' LEU . . . -130.94 154.86 47.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -141.41 147.82 38.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.437 HD13 ' CD1' ' A' ' 142' ' ' PHE . 69.3 mt -97.64 115.61 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 14.6 ptm -115.42 162.38 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.06 116.34 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 46.2 p -94.13 -55.94 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -82.27 -142.29 4.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.551 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -85.58 -51.47 6.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 0.0 110.812 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -127.72 9.95 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.434 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.2 mpt_? -79.14 154.55 29.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.13 118.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . 0.434 ' OE2' ' C ' ' A' ' 81' ' ' LEU . 14.3 tp10 -107.3 153.99 21.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.0 t -124.11 125.86 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.542 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 86.6 m-70 -120.05 127.11 52.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 6.2 t -97.0 156.77 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -155.68 132.25 10.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -85.55 139.29 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 85.8 m -125.65 153.9 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.497 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 77.2 mt-10 -144.25 130.81 10.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.74 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.297 0.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -120.41 177.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -95.15 26.58 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -73.71 -58.14 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.22 -22.14 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.4 t -86.64 -55.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' SER . . . . . 0.445 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 7.1 m -54.27 -47.27 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.93 -33.49 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -67.91 -49.79 59.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.38 -33.17 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.418 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 37.0 mt-30 -60.71 -52.59 64.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.64 38.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -44.0 -41.62 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 m -104.35 157.78 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -148.06 129.47 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.31 -144.72 4.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -62.79 162.54 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -119.28 -52.99 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.0 109.94 1.98 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -145.86 131.08 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.29 -60.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.91 138.71 31.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 ' CG ' ' A' ' 16' ' ' ARG . 9.8 p -54.93 139.19 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -70.93 152.88 94.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.618 0.723 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.28 25.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.238 . . . . 0.0 112.355 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -96.15 -36.8 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -67.15 -41.0 86.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' CG ' HG12 ' A' ' 11' ' ' VAL . 80.3 mtp180 -50.44 -60.54 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -50.93 -36.82 40.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.5 mt -68.45 -45.31 72.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -45.48 -42.71 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -54.09 -54.4 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.4 mmt -46.58 -26.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -92.51 -29.63 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.41 -74.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.41 -36.01 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.84 166.61 25.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE2' ' CG ' ' A' ' 182' ' ' GLN . 29.5 t80 -104.43 92.83 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' CD ' HG13 ' A' ' 87' ' ' VAL . 3.2 mm-40 -77.3 169.34 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -113.78 111.78 48.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.41 10.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.1 m -53.98 -40.66 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -59.17 -53.6 56.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -81.59 50.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -120.03 -47.36 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -83.43 -25.88 30.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -89.97 51.86 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -91.47 70.16 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.2 tpp -87.33 118.87 27.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' ASN . 80.7 mt-30 -120.35 143.11 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLN . 13.1 m-20 -37.04 126.63 0.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -105.0 -45.71 4.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.13 -164.62 13.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 110.98 2.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -81.02 104.52 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.5 t -142.66 130.93 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.39 123.12 16.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pp -103.49 21.37 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -146.89 162.29 38.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.31 96.41 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -74.47 105.57 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.05 -99.79 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.1 t -143.13 159.62 41.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.1 p -152.26 177.28 10.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.78 75.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.419 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -143.69 157.53 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -109.81 142.25 41.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.07 55.92 0.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.0 p -53.77 143.72 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 m -146.56 171.5 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.26 172.78 30.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 t -149.34 133.9 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -157.12 105.99 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.12 158.86 18.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 81.92 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.1 p -61.62 147.01 89.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.571 0.7 . . . . 0.0 111.162 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 121.63 8.31 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 170.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 m -158.24 119.04 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -110.85 -3.35 15.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -120.28 157.4 29.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' CG2' ' OD1' ' A' ' 114' ' ' ASN . 1.8 p -158.41 147.57 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 15.9 mt-30 -96.87 129.18 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.24 119.38 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 71' ' ' GLN . 36.0 m-85 -125.02 120.66 32.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.479 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 4.1 tpp85 -66.86 139.68 57.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 18.9 m -161.8 -176.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 37.6 mt-30 -126.27 139.31 53.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -100.69 102.91 14.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.508 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.4 mp -65.76 -34.55 78.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.18 173.95 13.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.493 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 7.0 tmm? -86.48 138.22 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.85 114.72 8.62 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 145.52 57.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -127.33 161.67 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.86 -30.53 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -114.99 144.42 32.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -21.17 33.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.415 HG13 ' CD ' ' A' ' 27' ' ' GLU . 35.0 m -141.76 -178.21 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.47 139.52 7.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.77 -42.96 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.53 -24.62 65.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -88.55 -45.89 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.9 tt -59.1 -54.42 47.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -54.44 -49.99 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 t -40.9 -49.79 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.96 -57.89 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.0 mt -37.84 -51.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -61.86 -47.7 83.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -44.31 -53.39 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.2 mt -73.54 -49.37 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.0 mtt -40.89 -40.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.43 HG22 ' N ' ' A' ' 102' ' ' SER . 15.4 t -82.03 -28.83 32.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 99' ' ' LEU . 53.3 m -56.3 -53.62 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 p -129.22 -179.19 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 11.2 m -90.48 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 43.1 tttm -54.11 -47.88 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.0 -30.61 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -57.11 -26.61 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.508 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 7.6 m0 -69.77 128.92 91.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 122.0 8.67 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.56 112.04 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.3 m -112.45 166.69 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -110.94 140.46 45.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 45.5 ttm -95.68 99.19 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.419 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 31.3 t30 -86.39 96.31 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.4 t -94.87 103.94 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.52 150.25 38.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.7 t70 40.78 49.46 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 47.87 40.75 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.6 m -133.44 117.07 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 135' ' ' CYS . 78.7 t -84.66 112.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.1 m -121.52 131.85 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.92 94.81 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.9 mm -92.44 134.0 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -55.65 165.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -71.37 -49.15 45.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -82.93 -68.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.3 156.91 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -32.19 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.54 15.34 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 131' ' ' VAL . 7.1 tp10 -73.36 -36.81 66.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 132' ' ' LEU . 7.3 p 35.63 50.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 82.2 mt -34.67 -47.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.4 t -136.42 144.72 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -128.01 98.49 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 120' ' ' VAL . 7.7 t -116.56 140.43 49.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -114.48 128.58 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.0 -35.56 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -58.03 -38.11 75.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -88.54 -10.71 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.88 113.98 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.9 p -77.76 -57.28 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 143' ' ' MET . 4.0 t80 -152.8 149.61 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' MET . . . . . 0.45 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.1 ptt? -137.98 151.16 47.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.8 -169.11 29.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.537 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.83 144.5 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -68.29 -173.47 7.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -47.31 -28.72 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 147' ' ' LYS . 1.5 m-20 -115.5 122.54 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 32.9 m -44.23 -40.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.513 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 71.0 m80 -44.05 -41.65 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 54.5 p -82.25 128.91 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -134.71 113.9 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -126.29 166.14 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -151.13 148.27 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 76.6 mt -98.47 126.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -128.72 167.79 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.98 141.82 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 33.5 p -109.72 -48.58 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 173.81 151.96 8.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 68.28 34.36 3.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 62.54 27.47 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -89.99 153.67 20.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.441 ' C ' ' OE1' ' A' ' 164' ' ' GLU . 2.7 m-85 -134.4 127.7 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 164' ' ' GLU . 1.6 mp0 -114.09 151.05 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 53.3 t -113.45 123.67 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.493 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 96.6 m-70 -118.68 114.46 22.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.39 147.75 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -148.48 127.43 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.513 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 31.5 t-105 -86.16 132.71 33.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 54.7 m -107.38 156.28 19.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 26.5 mt-10 -143.37 126.98 9.2 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.74 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.69 -50.69 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.745 -1.773 . . . . 0.0 112.338 -0.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -118.85 173.35 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -96.0 33.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.33 -51.54 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -72.16 -39.66 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.47 -61.64 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.6 t -55.91 -28.33 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.36 -50.65 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.27 -53.45 28.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.39 -37.73 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.485 ' CG ' ' CE2' ' A' ' 26' ' ' TYR . 33.9 tt0 -61.74 -58.92 6.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.11 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -51.57 -42.3 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p -85.33 169.84 13.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -121.84 172.36 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.13 105.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p -90.3 161.39 15.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -144.67 171.59 14.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.01 157.15 7.58 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -96.06 104.72 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.48 134.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 117.01 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.8 145.44 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 p -87.72 151.01 49.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -6.64 19.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.56 -32.21 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -76.15 -48.91 18.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -39.03 -37.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -81.65 -40.66 22.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 mt -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.1 p -40.97 -42.48 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.82 -50.61 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.7 mmt -48.03 -33.84 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -78.54 -26.21 45.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -64.25 -62.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -126.65 -39.85 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.0 -174.35 21.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 182' ' ' GLN . 3.1 t80 -119.65 102.47 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -87.29 169.77 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -117.22 116.98 37.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -32.08 19.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.9 m -40.23 -53.08 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -61.45 -50.73 71.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -43.51 -52.34 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' LYS . 18.1 t80 -35.52 -64.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -54.19 -39.2 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' LYS . 23.2 mm-40 -86.28 51.08 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -90.36 148.97 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -33.38 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -65.82 114.29 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -125.59 120.73 31.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -142.41 166.36 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.38 69.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 128.85 16.61 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.278 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 p -64.89 124.08 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 p -139.39 175.77 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.03 51.46 0.88 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.9 mt -145.95 130.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.748 0.309 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.17 125.18 49.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.03 -102.55 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -147.8 163.74 35.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.66 134.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.452 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.6 p -159.91 126.06 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -95.75 -50.58 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.89 104.76 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 t -155.5 111.15 3.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.868 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -121.44 164.11 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -130.64 117.97 2.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -92.4 55.81 2.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.8 t -88.69 118.19 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.32 157.6 16.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -112.05 163.76 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m -154.64 149.28 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -116.67 147.93 18.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -178.57 2.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.738 2.292 . . . . 0.0 112.337 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 130.05 93.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 111.131 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.91 26.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -89.22 165.6 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -95.2 142.32 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -120.73 121.32 37.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.9 mt -48.37 177.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' CG2' ' HB1' ' A' ' 116' ' ' ALA . 7.9 p -127.29 144.71 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -109.16 123.2 48.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.93 118.72 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -112.29 157.15 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -101.11 116.14 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.19 165.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -105.74 155.14 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -106.54 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.5 mp -66.67 -50.59 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 155.2 -178.53 31.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.405 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 23.8 ttp -100.76 141.68 33.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -145.27 122.87 6.32 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.464 ' N ' HD12 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.8 136.38 32.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.312 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -108.57 156.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.45 -25.7 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -124.4 149.19 60.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.95 28.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -140.35 176.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.99 136.75 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 92' ' ' LEU . 3.8 mmt -68.41 -58.27 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -41.84 -40.78 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -68.51 -33.21 73.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 89' ' ' MET . 4.7 tp -68.62 -57.77 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -53.88 -49.65 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -39.99 -53.64 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.0 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 61.1 mt -53.76 -57.59 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.05 -32.83 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.2 -52.67 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.86 -38.97 69.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.1 mmt -46.92 -51.13 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.2 t -77.32 -20.16 55.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.9 t -66.75 -52.72 41.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.8 m -125.88 165.83 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 4.9 m -85.19 169.25 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.472 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.0 tttm -64.07 -35.92 82.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.59 -37.03 65.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.72 -36.5 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 9.4 m0 -57.18 115.57 10.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.559 0.695 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.35 30.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.9 p -64.33 119.29 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.9 m -127.71 177.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -132.26 145.01 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 29.0 tpp -96.81 102.48 14.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -87.59 96.98 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 65.3 t -101.4 100.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.403 ' HB1' ' CG2' ' A' ' 70' ' ' VAL . . . -141.69 140.99 33.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t0 47.65 45.86 17.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.417 ' C ' HG22 ' A' ' 137' ' ' VAL . . . 57.08 41.05 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -129.31 123.95 33.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -100.92 96.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 m -114.59 117.23 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.47 HG22 ' CE1' ' A' ' 168' ' ' PHE . 56.1 t -85.68 96.4 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.8 mm -90.23 139.17 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.6 t -69.69 147.34 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.35 -37.51 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -71.3 -47.69 55.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -118.36 138.72 52.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.83 -37.91 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.85 19.68 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' VAL . 5.4 tp10 -81.8 -30.45 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 130' ' ' GLU . 11.8 p 33.35 50.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -35.92 -53.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.46 133.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -119.11 103.6 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.3 t -116.39 149.25 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 21.6 mtm180 -127.63 116.11 19.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.417 HG22 ' C ' ' A' ' 118' ' ' ALA . 43.3 t -36.31 -41.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -45.72 -47.91 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -80.1 -34.73 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.6 tt -40.55 130.08 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.0 p -98.16 -56.5 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 143' ' ' MET . 11.4 t80 -148.95 155.39 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' MET . . . . . 0.417 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 17.0 ptt? -151.75 146.0 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -162.23 -167.49 22.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 11.6 m -119.18 160.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.61 -171.15 43.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 148' ' ' ASP . 39.2 pttt -38.77 -46.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 147' ' ' LYS . 6.1 m-20 -104.09 127.72 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 30.3 m -46.56 -46.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -38.37 -45.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 52.1 p -77.09 135.73 38.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -139.48 122.66 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -134.83 153.95 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -140.9 148.19 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 70.2 mt -100.24 136.41 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.4 ptm -140.05 153.25 46.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.14 133.51 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 66.0 p -124.73 -33.1 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.471 ' HA3' ' NE ' ' A' ' 162' ' ' ARG . . . -126.9 -145.51 6.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . 0.451 ' N ' ' HD3' ' A' ' 162' ' ' ARG . 50.8 m-20 -73.54 -72.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -117.08 12.36 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.471 ' NE ' ' HA3' ' A' ' 159' ' ' GLY . 0.0 OUTLIER -110.21 147.48 33.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.97 158.29 44.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -117.58 149.27 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.45 106.4 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.405 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.1 m-70 -91.9 113.0 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 6.3 t -90.5 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.47 ' CE1' HG22 ' A' ' 122' ' ' VAL . 89.1 m-85 -152.5 140.02 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -93.02 139.38 30.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 77.5 m -122.0 149.05 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 2.3 mp0 -137.74 132.62 17.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.661 0.743 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.72 -50.45 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.358 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -123.69 166.73 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.29 39.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -78.62 -50.19 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -74.17 -35.73 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.36 -59.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.3 m -59.83 -18.64 45.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -44.78 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.04 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.69 -48.58 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 1.4 pt20 -66.71 -21.33 66.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.85 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -80.4 -37.02 32.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -101.31 131.09 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 p -63.97 150.11 45.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.75 -92.12 2.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -132.78 149.9 52.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -112.61 135.31 53.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.23 -105.1 2.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 61.58 39.11 15.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.327 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 45.67 41.64 7.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.03 122.31 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.3 138.53 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -73.17 151.72 90.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.57 0.7 . . . . 0.0 111.142 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -6.88 19.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -96.56 -30.17 13.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -75.35 -36.79 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -56.82 -40.77 76.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -80.72 -40.25 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' MET . 40.0 mt -61.28 -56.66 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 83.1 p -37.12 -41.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -55.39 -46.64 76.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' LEU . 13.1 mmt -52.61 -22.49 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.02 -40.22 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -53.74 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -113.17 -46.24 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.82 -159.52 13.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 25.6 t80 -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -93.79 162.9 13.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -85.38 119.33 72.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -36.76 10.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -67.59 -54.12 22.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.41 -46.95 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 33' ' ' PHE . 5.7 tmmm? -55.21 -56.48 19.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.444 ' N ' ' HD2' ' A' ' 32' ' ' LYS . 2.3 t80 -47.7 -53.11 16.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -54.68 -51.07 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -44.98 -59.19 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -94.07 102.33 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.6 ptm -112.16 126.65 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -65.93 120.37 12.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -98.57 95.5 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -83.61 101.58 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.71 70.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.8 40.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 p -117.96 127.82 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 t -45.24 -45.2 11.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.98 115.8 1.02 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pt -137.97 139.15 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -81.21 168.0 18.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.09 170.92 24.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.68 83.84 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.92 174.9 41.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -108.74 -59.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.0 p 43.85 43.54 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -111.94 148.16 18.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -152.12 166.87 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.6 p -146.06 176.46 9.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.18 169.78 42.85 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.4 p -89.42 171.04 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.2 m -118.26 40.16 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 50.38 -175.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.1 m -137.26 164.7 27.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.3 p -150.77 170.26 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -139.09 142.28 12.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 173.02 11.56 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -92.93 145.41 30.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.554 0.692 . . . . 0.0 111.191 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 133.72 26.17 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -151.23 128.99 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.0 m -52.02 144.63 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -155.98 131.66 9.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.41 152.69 44.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 116' ' ' ALA . 8.5 p -119.94 130.13 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 16.2 mt-30 -105.21 122.25 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.07 110.91 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 94.3 m-85 -105.49 154.89 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 119.74 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -149.75 176.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -115.49 153.75 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -107.08 100.08 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.9 mp -62.82 -44.83 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.96 171.85 17.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 8.6 ttp -89.23 119.24 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' C ' ' OE2' ' A' ' 164' ' ' GLU . 0.7 OUTLIER -123.99 118.35 26.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.46 56.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.53 166.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.46 -33.06 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -122.0 149.51 54.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -23.21 31.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 m -136.81 167.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.03 130.59 3.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.69 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -47.74 -47.32 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.9 m -62.15 -41.31 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -65.57 -44.03 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' SER . 1.9 m-80 -63.89 -53.7 46.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' ASN . 8.1 t -35.75 -47.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.13 -49.97 72.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.424 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 64.8 mt -47.21 -55.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.81 -37.9 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.23 -54.74 41.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.96 -38.1 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.2 mtt -52.85 -48.04 67.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.4 HG21 ' N ' ' A' ' 102' ' ' SER . 12.4 t -77.79 -45.43 24.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.4 ' N ' HG21 ' A' ' 101' ' ' THR . 5.2 t -47.12 -46.72 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 99.8 p -121.83 -176.28 3.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.412 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 3.2 p -107.03 158.35 17.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.504 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 37.4 tttm -58.7 -18.48 31.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -90.34 -38.42 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.69 -33.69 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.504 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 2.4 m0 -62.2 114.63 12.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.525 0.679 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.3 50.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -71.24 107.23 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.0 m -114.11 177.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -131.86 141.58 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 27.7 ttm -93.47 103.8 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -89.76 97.1 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.5 t -101.63 106.69 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.437 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . . . -147.6 130.27 15.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.3 t0 59.1 43.45 17.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 57.05 41.79 26.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 35.0 m -131.07 116.62 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' CYS . 73.0 t -91.04 97.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.0 m -116.4 115.85 26.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.528 HG23 ' CE1' ' A' ' 168' ' ' PHE . 94.2 t -82.61 104.57 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.9 mm -98.33 140.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -65.42 153.96 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.41 -46.16 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -76.42 -44.65 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.55 135.84 46.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -93.64 -32.63 14.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -94.54 40.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 131' ' ' VAL . 11.6 tp10 -101.61 -30.98 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 130' ' ' GLU . 15.0 p 32.15 49.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' VAL . 78.3 mt -35.82 -47.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 134' ' ' GLU . 79.3 t -132.81 137.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.427 ' N ' HG11 ' A' ' 133' ' ' VAL . 40.8 tt0 -124.92 101.98 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 120' ' ' VAL . 11.5 t -125.17 145.25 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.36 123.15 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 85.1 t -38.77 -40.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -45.7 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 140' ' ' LEU . 22.4 m-85 -78.98 -37.0 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 139' ' ' PHE . 7.4 tt -36.41 109.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 76.2 p -77.26 -57.91 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -148.41 143.79 27.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -139.78 148.58 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -165.24 -156.25 9.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.43 161.93 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.424 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -91.12 -170.15 42.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -46.56 -39.88 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 149' ' ' VAL . 8.3 t0 -108.96 114.91 29.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 150' ' ' HIS . 32.6 m -36.92 -39.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 74.2 m80 -44.7 -47.83 10.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.49 HG22 ' CE3' ' A' ' 169' ' ' TRP . 70.0 p -77.33 121.53 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -123.7 116.77 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -123.56 171.58 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 14.1 p90 -162.51 140.3 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 84.5 mt -95.07 130.25 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -124.87 168.37 13.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -119.58 125.17 48.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.5 p -97.24 -30.09 13.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 145.27 162.48 9.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 6.6 t30 67.79 37.47 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.47 33.8 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -105.53 147.46 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -134.47 124.45 25.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . 0.438 ' CG ' ' HG2' ' A' ' 80' ' ' MET . 21.0 tp10 -111.21 151.64 28.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.9 t -114.29 126.37 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 92.5 m-70 -114.99 118.15 32.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 28.0 t -94.09 140.36 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.528 ' CE1' HG23 ' A' ' 122' ' ' VAL . 96.0 m-85 -141.31 128.58 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.49 ' CE3' HG22 ' A' ' 151' ' ' THR . 39.6 t-105 -81.95 138.62 34.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 65.2 m -124.53 149.52 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.7 mm-40 -144.08 134.85 12.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.2 Cg_endo -69.73 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.39 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.04 170.74 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.7 30.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -79.28 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.46 -21.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.15 -50.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 13.2 m -57.32 -37.93 73.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -39.57 67.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -55.29 -50.99 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.57 -36.01 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.445 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 31.7 tt0 -53.51 -49.5 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.52 -46.68 38.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.65 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -95.73 172.83 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -124.42 -20.52 5.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.13 96.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p -132.1 44.8 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p -101.22 44.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.46 125.75 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -128.23 98.95 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.44 -58.54 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.08 157.66 45.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 p -101.61 142.16 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.9 p -73.6 151.46 89.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.542 0.687 . . . . 0.0 111.178 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.11 30.15 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.653 2.235 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -95.19 -37.26 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 18' ' ' LEU . 11.4 mt-10 -65.22 -48.92 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' GLU . 66.8 mtm180 -37.36 -55.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -53.22 -36.98 61.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 15' ' ' GLU . 26.7 mt -72.62 -49.82 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LEU . 41.9 m -34.22 -49.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -49.3 76.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.7 mmt -46.35 -39.75 10.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -69.98 -38.43 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -58.94 -69.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -111.76 -47.92 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -152.01 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 59.4 t80 -138.0 118.41 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -97.16 130.84 44.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -75.14 114.47 35.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -34.98 13.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.27 . . . . 0.0 112.372 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.7 m -54.89 -50.38 68.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -41.22 -52.44 3.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HD3' ' CG ' ' A' ' 35' ' ' GLU . 10.3 tppt? -82.99 66.34 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -133.34 -70.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -70.62 -41.92 71.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 2.3 pp20? -36.98 -37.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -63.9 112.87 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -141.99 135.86 29.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -123.6 89.67 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -145.81 159.57 43.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -86.36 42.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.71 -74.54 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 132.87 24.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -159.57 134.94 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -70.09 168.89 14.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.03 175.69 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.7 pt -145.11 -177.06 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.81 149.52 35.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -56.02 -30.73 57.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -68.35 108.96 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.41 109.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.3 t -145.49 166.97 24.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.6 p -173.53 169.85 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.34 152.71 24.1 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -162.58 174.71 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -136.52 167.24 21.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -158.58 157.63 28.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 p -171.95 125.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.6 t -142.68 151.75 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.99 150.19 19.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -171.09 113.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -108.74 166.14 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -118.2 159.65 14.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 137.52 35.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 p -117.83 151.7 49.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.708 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.36 40.19 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.398 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -80.74 82.63 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -99.91 137.72 37.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -113.97 21.5 14.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.34 141.78 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p -162.93 139.0 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -115.91 121.35 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -102.52 117.38 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.52 146.49 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -88.02 117.36 26.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.423 ' N ' ' HD3' ' A' ' 74' ' ' ARG . 31.4 m -151.6 174.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -111.43 162.91 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -123.99 103.26 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.506 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.3 mp -67.04 -50.66 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 151.51 176.79 24.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 17.8 ttp -83.8 126.47 32.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.14 113.2 14.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.75 54.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 91' ' ' THR . 14.3 m -115.33 163.01 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.75 -38.38 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.39 150.32 51.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -27.39 26.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.7 m -130.03 172.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.08 142.68 9.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 88.1 mmm -77.37 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -38.12 -46.39 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 83' ' ' VAL . 94.4 m -66.64 -45.26 79.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.22 -56.43 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -53.66 -44.41 69.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.6 t -47.52 -48.87 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.69 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.402 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 82.0 mt -44.22 -53.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -60.76 -47.35 86.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -44.83 -43.34 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.9 mt -82.42 -48.73 10.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 mtt -43.63 -41.62 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.1 t -80.14 -29.26 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -68.16 -50.55 53.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 p -118.59 166.06 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.447 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 41.7 m -90.95 162.58 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -56.53 -37.39 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.47 -45.5 30.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.3 -41.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.506 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.4 m0 -55.39 114.91 8.04 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 116.38 4.53 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 m -48.43 109.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -111.86 170.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 125' ' ' GLU . 97.2 m-20 -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.6 tpp -85.41 104.71 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.55 97.75 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 76.8 t -101.84 121.68 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.81 144.44 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.0 t70 43.22 43.87 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 58.34 40.47 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.5 m -132.66 113.89 13.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -89.61 106.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.442 ' CG2' HD11 ' A' ' 123' ' ' ILE . 18.4 m -120.2 121.0 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 96.8 t -84.28 100.38 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.442 HD11 ' CG2' ' A' ' 121' ' ' THR . 32.8 mm -98.44 136.66 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.401 ' HG ' ' N ' ' A' ' 125' ' ' GLU . 44.3 t -51.54 154.49 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.443 ' HA ' ' ND2' ' A' ' 112' ' ' ASN . 9.1 tt0 -51.96 -48.64 64.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 12.0 tptm -100.92 -68.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 86.4 m-20 -49.55 118.15 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -87.52 -32.7 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.13 41.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 131' ' ' VAL . 6.5 tp10 -104.45 -29.63 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.508 ' C ' ' O ' ' A' ' 130' ' ' GLU . 8.3 p 28.81 46.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.9 mt -34.04 -47.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.9 t -138.22 134.99 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -119.09 107.15 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.4 t -122.03 143.87 49.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 57.4 mtp85 -121.02 122.11 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 136' ' ' ARG . 87.6 t -36.21 -51.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -44.65 -45.75 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.05 -38.63 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 142' ' ' PHE . 6.0 tt -46.96 134.98 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.411 ' N ' HD22 ' A' ' 140' ' ' LEU . 58.1 p -106.01 -45.23 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.433 ' CG ' ' N ' ' A' ' 143' ' ' MET . 81.3 t80 -155.91 160.75 40.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' MET . . . . . 0.433 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 8.9 ptt? -160.9 151.32 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -163.07 -172.53 30.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 22.5 m -115.95 152.4 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.147 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.402 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -78.44 -175.8 46.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -47.14 -26.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.846 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.409 ' N ' ' HG2' ' A' ' 147' ' ' LYS . 0.6 OUTLIER -120.88 119.16 31.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 29.2 m -37.89 -41.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -43.18 -46.68 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.418 HG21 ' CE3' ' A' ' 169' ' ' TRP . 52.2 p -80.16 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.52 112.85 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -119.38 157.43 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 7.3 p90 -145.84 143.98 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 54.6 mt -97.22 133.28 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 11.3 ptm -136.89 166.72 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -108.32 128.17 54.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.8 p -104.0 -21.02 13.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 140.05 166.09 10.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.71 32.63 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 56.58 31.65 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' A' ' 162' ' ' ARG . 12.5 mmp_? -97.86 146.63 25.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -126.03 115.97 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -109.22 156.64 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.32 117.26 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 94.0 m-70 -100.46 120.81 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 78' ' ' LEU . 72.0 t -92.66 147.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.486 ' CE1' ' CE2' ' A' ' 154' ' ' PHE . 82.9 m-85 -150.05 134.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.418 ' CE3' HG21 ' A' ' 151' ' ' THR . 44.7 t-105 -89.9 124.86 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 97.2 m -109.18 155.07 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.53 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 37.9 mt-10 -148.21 136.7 11.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.77 -47.6 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.83 157.0 36.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.36 42.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.57 -55.66 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.75 -39.06 92.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 69.8 t -67.52 -52.97 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 57.5 p -60.33 -32.75 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.16 -49.19 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.9 -57.32 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 8.5 p -55.17 -39.96 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.51 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 17.0 tt0 -56.92 -57.96 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -39.01 -48.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -43.47 -42.85 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -127.21 133.12 50.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.81 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -71.56 154.16 41.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.35 167.52 16.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -107.19 124.24 49.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -130.88 146.61 52.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.798 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.72 72.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -102.38 165.15 11.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.338 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.2 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.72 128.29 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.8 p -83.6 141.51 14.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -81.47 149.86 65.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -13.28 34.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -89.08 -43.73 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.41 -52.27 66.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -44.23 -63.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -40.04 -43.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' MET . 18.4 mt -69.8 -53.81 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -37.85 -45.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -60.92 -44.83 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' LEU . 20.2 mtt -55.37 -36.47 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.34 -49.36 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.58 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -129.03 -32.42 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.08 -163.43 12.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 50.2 t80 -129.24 95.15 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.89 152.6 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.412 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 11.0 t-20 -99.23 111.36 60.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' THR . 53.4 Cg_endo -69.79 -45.51 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.614 2.209 . . . . 0.0 112.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' PRO . 26.7 m -36.4 -44.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -68.16 -54.24 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.63 46.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -101.56 -48.61 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.83 42.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 2.7 pp20? -88.7 42.85 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.1 94.09 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.6 mtp -41.92 100.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -83.66 92.19 7.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -62.79 100.37 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.8 m -74.59 84.99 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.99 170.44 44.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 139.87 41.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -117.37 175.71 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 m -110.86 138.18 47.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.72 57.27 0.59 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.7 mm -113.31 118.43 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 111.084 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -112.96 144.08 43.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.05 -56.48 2.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -162.57 162.94 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.41 -121.5 6.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.546 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m 55.57 42.51 29.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.1 m -97.27 92.82 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.42 162.72 29.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 p -129.23 173.6 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.1 p -156.96 175.08 14.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.13 171.86 44.87 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -109.79 156.06 20.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.836 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 t -116.07 42.5 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.03 -170.53 11.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.2 m -156.08 139.5 15.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.2 p -120.95 157.86 28.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -135.87 145.02 17.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 90.78 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.4 p -60.51 143.76 89.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.569 0.7 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 137.79 36.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.379 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -75.96 142.43 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 m -140.23 141.45 35.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -121.91 -5.69 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -117.6 154.36 31.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -160.32 139.92 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -96.78 117.97 32.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -109.71 117.97 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.74 151.56 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HD2' ' C ' ' A' ' 74' ' ' ARG . 0.7 OUTLIER -97.39 123.82 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -152.58 179.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -118.53 155.59 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -109.21 111.4 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.34 176.45 38.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.621 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 2.8 tpt -98.29 104.16 16.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' N ' ' HE2' ' A' ' 80' ' ' MET . 0.5 OUTLIER -113.78 115.12 46.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.645 0.735 . . . . 0.0 110.936 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 144.04 53.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.47 175.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -102.59 -28.39 12.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -124.26 150.19 63.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.38 29.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.1 m -138.07 170.58 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.31 143.8 10.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.418 ' HE2' ' N ' ' A' ' 145' ' ' VAL . 4.3 mmt -80.14 -57.44 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -38.94 -36.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 86.1 m -80.11 -48.93 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.14 -54.85 42.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' SER . 2.6 m-80 -49.41 -52.83 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 33.3 t -36.33 -46.12 0.51 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.63 -53.28 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 97.4 mt -45.08 -58.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.77 -46.62 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -44.7 -68.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.31 -40.83 87.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -49.52 -40.98 39.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.6 t -86.94 -17.35 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 t -76.2 -44.26 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.1 m -126.09 -176.36 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.9 m -108.7 165.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.422 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 33.8 tttm -57.19 -43.76 83.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.25 -40.12 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -48.0 -38.0 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.422 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 6.5 m0 -59.55 119.72 42.53 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.54 0.686 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -63.78 118.12 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.64 173.63 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -129.7 137.71 50.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 40.7 ttm -88.27 101.01 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -82.73 95.92 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 93.5 t -98.65 100.42 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -144.86 125.54 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 62.4 49.5 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 50.93 37.68 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -127.62 114.85 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -93.45 102.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 62.8 m -117.95 126.09 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.1 t -88.53 98.13 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.4 mm -94.65 131.9 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -60.25 133.75 56.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.99 -46.08 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -69.26 -70.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -86.28 136.6 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.43 -28.19 17.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.81 40.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.4 tp10 -105.33 -30.92 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 132' ' ' LEU . 14.8 p 32.55 48.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 47.4 mt -33.23 -46.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.401 HG13 ' N ' ' A' ' 134' ' ' GLU . 71.3 t -141.45 134.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 133' ' ' VAL . 21.9 tt0 -118.48 101.14 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.7 t -115.54 147.75 40.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -124.05 127.81 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 140' ' ' LEU . 89.5 t -43.75 -51.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -44.16 -43.13 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.27 -22.14 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 137' ' ' VAL . 1.7 tt -55.09 126.18 23.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 56.3 p -99.48 -37.88 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.404 ' CG ' ' N ' ' A' ' 143' ' ' MET . 44.1 t80 -161.76 156.51 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 1.5 ptt? -155.43 147.52 23.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -165.43 -172.66 33.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.418 ' N ' ' HE2' ' A' ' 89' ' ' MET . 6.0 m -118.67 160.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -92.51 -174.38 41.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 146' ' ' GLY . 52.7 mttm -35.35 -46.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -105.5 127.14 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 m -53.05 -20.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 69.1 m80 -58.81 -36.77 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 72.3 p -91.78 129.83 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -129.57 113.96 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -119.9 146.55 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -132.73 138.59 47.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 87.5 mt -95.86 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.3 ptm -116.54 157.26 25.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -105.22 113.15 26.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p -77.91 -57.6 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 170.25 160.71 19.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 63.09 39.02 10.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 60.76 33.69 20.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -91.97 153.27 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -133.64 118.39 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -116.79 143.21 45.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . 0.465 ' N ' ' HE3' ' A' ' 80' ' ' MET . 2.4 t -122.82 115.92 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.621 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 78.6 m-70 -106.47 114.32 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 23.5 t -87.5 152.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 83.6 m-85 -154.01 133.47 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -85.83 142.65 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.26 153.09 46.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 25.2 mt-10 -139.73 132.07 15.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.4 Cg_endo -69.72 -48.29 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.361 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.08 167.09 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -90.13 45.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.82 -49.04 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.58 -38.5 77.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.24 -56.19 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.7 p -58.3 -26.42 63.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.58 -45.58 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.5 -54.67 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.9 p -60.52 -24.99 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.543 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 32.5 tt0 -75.67 -42.78 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.14 83.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.93 60.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -138.21 114.5 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -103.38 162.42 13.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.83 -119.05 3.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -105.71 115.83 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -125.42 60.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.29 -75.12 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -119.67 134.04 55.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.15 114.34 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.1 140.14 39.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -88.99 147.25 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -71.02 152.03 94.91 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.547 0.689 . . . . 0.0 111.169 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -12.7 33.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -92.46 -33.47 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.79 -61.76 1.67 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 17' ' ' HIS . 9.0 ptp180 -44.48 -39.07 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.9 t60 -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.3 mt -77.82 -37.33 48.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m -49.75 -44.39 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -63.4 -44.07 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -50.43 -19.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.407 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 79.6 mt-30 -89.77 -40.66 12.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -44.55 -71.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -117.83 -36.89 3.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -165.0 13.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 182' ' ' GLN . 6.0 t80 -119.38 103.54 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -86.59 156.74 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 30' ' ' THR . 36.2 t-20 -99.09 115.81 65.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -31.95 19.58 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.47 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 3.3 m -74.01 -1.35 19.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -101.36 -21.73 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -95.32 -30.47 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' PHE . 34.2 t80 -48.67 -70.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' PHE . 12.6 t80 -37.76 -39.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -91.71 58.55 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.4 139.38 58.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -131.35 146.2 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -167.47 147.34 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -119.24 130.14 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -133.98 149.16 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -41.81 144.7 0.81 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' SER . 53.9 Cg_endo -69.76 154.91 67.17 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' PRO . 34.5 p 34.47 53.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.7 p -47.37 111.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.52 -128.45 8.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.37 19.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.3 114.27 7.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.74 -168.68 5.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.4 mtm-85 -54.83 114.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.13 122.62 1.43 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -104.94 147.84 27.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.8 p -143.29 137.7 29.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.9 130.14 1.32 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -163.58 158.42 20.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.3 m -128.46 166.65 18.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.43 140.13 2.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -173.06 137.61 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -138.56 141.03 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.14 105.15 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.7 t -74.89 73.18 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.4 p -108.39 172.1 7.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.77 -175.22 45.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.2 47.34 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.43 121.2 54.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 111.183 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 165.62 30.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 44.12 51.69 7.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 p -48.55 130.99 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -94.0 1.28 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.8 mt -136.84 147.36 46.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 71' ' ' GLN . 5.5 p -174.11 136.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' N ' HG22 ' A' ' 70' ' ' VAL . 19.3 mt-30 -103.37 126.21 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -120.26 111.12 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -110.18 157.34 19.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -97.92 128.58 44.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.02 -176.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -121.57 159.56 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -114.66 108.76 17.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.6 mp -73.68 -43.45 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.91 -175.5 29.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.455 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 7.7 tmm? -109.43 113.57 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.5 116.72 59.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.61 19.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.43 161.55 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -101.23 -23.78 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -104.48 130.18 23.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.31 37.59 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.0 m -146.14 -175.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.28 143.82 10.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.1 mmt -86.03 -9.54 56.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.69 -45.3 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.2 m -69.58 -30.65 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -78.14 -47.41 18.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -65.95 -30.06 70.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -66.83 -33.23 75.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.83 -51.39 41.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.1 mt -42.66 -66.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.8 -36.21 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -55.46 -47.23 76.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.1 mt -79.38 -37.31 37.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -47.53 -36.51 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.5 t -86.83 -19.87 28.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -72.31 -43.16 64.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 m -133.97 155.52 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 9.8 m -86.66 164.18 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 108' ' ' TRP . 40.3 tttm -54.84 -33.58 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.46 -37.41 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.68 -36.62 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.465 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.8 m0 -62.24 113.85 9.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.705 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.82 15.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -61.48 110.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -112.93 171.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -121.33 135.06 55.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.4 ttm -89.91 105.34 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -90.69 97.31 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.3 t -101.54 105.36 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -145.94 143.25 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 t70 48.75 39.32 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.4 45.1 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.1 m -136.84 115.71 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.94 98.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.4 m -117.59 113.64 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.425 HG23 ' CZ ' ' A' ' 168' ' ' PHE . 24.6 t -81.87 105.06 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.25 143.35 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -74.3 143.31 45.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.69 -56.84 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -51.02 -70.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -99.66 148.52 24.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -95.63 -15.98 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -103.61 42.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.422 ' CG ' HD22 ' A' ' 132' ' ' LEU . 7.5 tp10 -108.29 -31.66 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 131' ' ' VAL . 7.4 p 38.15 49.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -34.66 -39.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.1 t -146.34 130.18 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -120.07 102.84 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.7 t -122.71 147.63 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -118.91 133.86 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 84.8 t -53.54 -35.91 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -59.14 -36.1 74.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.15 -23.77 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.38 131.64 42.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.0 t -96.37 -69.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -137.74 148.1 45.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -148.52 158.06 43.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.85 -168.76 34.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.407 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -116.72 151.77 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -82.68 -170.18 45.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -44.74 -38.8 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -106.22 127.31 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 174' ' ' ALA . 20.1 m -52.37 -17.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 47.1 m80 -70.12 -31.61 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 43.5 p -87.23 123.88 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.505 ' CZ ' HG13 ' A' ' 181' ' ' VAL . 8.7 t80 -128.02 119.16 24.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -126.32 164.93 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.7 p90 -158.95 140.27 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 59.3 mt -95.48 140.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 9.7 ptm -133.61 166.21 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -111.69 116.79 31.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.2 p -90.33 -52.58 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 170.3 168.71 32.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 60.9 25.11 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 65.65 35.32 7.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -100.74 160.07 14.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -138.31 122.33 17.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -107.84 141.92 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 8.1 t -110.24 107.88 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.455 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 83.6 m-70 -99.04 130.72 45.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 23.8 t -108.01 154.73 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.425 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 92.2 m-85 -154.18 139.16 17.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -96.2 126.36 41.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 3.8 m -114.35 147.6 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.545 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 19.0 mt-10 -139.97 140.66 24.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.71 -45.96 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.366 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.23 155.52 33.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 149' ' ' VAL . . . -83.38 35.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.0 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.05 -20.93 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 152' ' ' PHE . 73.8 t -92.3 -49.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 22.9 t -67.38 -23.39 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -83.08 -40.85 19.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -69.7 -45.8 67.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.505 HG13 ' CZ ' ' A' ' 152' ' ' PHE . 12.2 p -60.96 -43.85 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.561 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 8.0 pt20 -74.07 -14.2 60.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -78.88 -29.52 44.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -70.36 -39.05 74.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 58.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 t -89.79 128.82 36.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -109.15 98.36 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.04 105.03 0.9 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.536 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -126.15 171.1 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -89.64 173.52 8.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.78 73.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.7 169.14 10.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.52 13.24 17.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.94 119.93 25.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.416 HG22 ' N ' ' A' ' 12' ' ' THR . 11.8 p -102.03 158.12 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' N ' HG22 ' A' ' 11' ' ' VAL . 1.7 p -87.89 152.49 51.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -10.28 28.2 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.375 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -89.06 -59.63 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -46.71 -43.13 17.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -38.34 -48.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.532 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -67.15 -35.62 80.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 15' ' ' GLU . 20.0 mt -68.76 -33.17 73.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -50.92 -59.02 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -48.68 -31.93 7.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 mmt -75.23 -33.73 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' HG2' ' CG2' ' A' ' 145' ' ' VAL . 9.0 mt-30 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -52.59 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.11 -28.0 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.4 -143.47 16.48 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.407 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 51.1 t80 -150.06 106.88 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.87 157.3 28.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -96.99 107.18 35.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 31' ' ' TYR . 54.3 Cg_endo -69.72 -48.87 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' PRO . 18.1 m -36.31 -30.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -81.76 -58.68 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -50.18 -49.77 51.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -48.07 -42.25 28.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -66.31 -50.42 63.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -46.92 -56.52 6.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -91.01 119.93 31.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.96 72.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.6 129.05 39.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -74.87 114.26 13.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.6 t -100.21 120.57 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.59 70.02 0.9 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.77 3.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 p -45.6 123.8 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 p -144.44 131.05 20.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.27 89.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -145.47 141.75 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -138.18 150.4 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.82 -178.71 42.53 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -130.08 119.3 22.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.51 87.64 0.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.7 m -148.27 155.99 42.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -156.87 117.47 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.32 150.83 49.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.9 m -124.34 118.64 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -151.89 107.16 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.01 161.76 53.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -95.19 122.92 38.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 t -157.11 119.84 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.9 -78.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t 41.09 41.61 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -94.27 136.21 34.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.6 -154.93 7.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 127.1 14.13 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.343 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.2 p -98.95 144.37 28.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 53.8 Cg_endo -69.78 -176.07 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' PRO . 33.0 mtmt 34.23 38.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 66' ' ' LYS . 4.1 m -36.99 139.27 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.4 2.83 6.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.3 mt -124.05 148.23 47.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.4 p -171.75 146.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -109.64 131.46 55.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.17 113.27 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -107.58 154.14 21.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.482 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 1.4 tmm_? -98.78 127.49 44.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 35.7 m -160.52 168.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -106.8 161.78 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -114.54 109.78 18.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mp -69.84 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.468 ' N ' HD11 ' A' ' 99' ' ' LEU . . . 170.02 177.45 40.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.626 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 3.5 tpt -97.26 102.89 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.494 ' N ' ' HE3' ' A' ' 80' ' ' MET . 0.3 OUTLIER -111.21 113.83 53.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.949 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 149.06 66.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.19 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -102.03 -25.06 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -117.88 141.57 29.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.18 29.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 m -137.49 175.61 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.91 153.12 12.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.18 -34.8 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.68 -29.01 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.2 m -85.58 -47.07 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.63 -46.5 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -61.09 -33.41 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -65.44 -41.36 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.12 -35.11 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.7 mt -59.53 -59.34 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -56.88 -40.78 76.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -50.49 -47.13 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 79' ' ' GLY . 98.8 mt -79.13 -47.28 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.7 mmt -40.64 -41.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -84.83 -27.15 26.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.3 t -59.2 -47.31 85.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.5 p -133.14 161.17 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -78.08 159.27 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.506 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.1 tttt -52.93 -33.61 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -77.54 -42.25 36.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -44.71 -33.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.506 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 6.2 m0 -61.49 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.67 120.59 7.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -53.48 119.08 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 m -120.2 -175.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -136.4 136.59 39.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.0 ttm -92.32 100.21 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -87.26 96.64 10.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.9 t -96.91 100.45 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.53 133.97 29.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 t70 52.79 45.58 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 54.07 44.08 29.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.7 m -132.78 114.46 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.7 t -89.59 106.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.9 m -121.57 125.68 47.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.445 HG23 ' CE2' ' A' ' 168' ' ' PHE . 77.5 t -88.0 102.14 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.4 mm -96.75 136.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -67.77 146.64 53.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.31 -42.88 78.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -68.65 -54.06 18.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -106.36 138.02 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -91.44 -23.43 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.54 40.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -100.05 -33.67 10.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 132' ' ' LEU . 7.1 p 39.08 46.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 131' ' ' VAL . 38.8 mt -34.04 -51.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.38 139.03 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -124.81 103.33 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 8.4 t -117.6 151.06 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -124.01 127.13 47.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 79.1 t -43.29 -41.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.56 -41.17 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -79.92 -18.14 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.16 124.26 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.8 t -97.04 -46.11 6.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.454 ' CG ' ' N ' ' A' ' 143' ' ' MET . 20.1 t80 -157.58 158.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' MET . . . . . 0.454 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.8 OUTLIER -156.86 157.37 34.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.66 -177.98 44.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . 0.444 ' CG2' ' HG2' ' A' ' 22' ' ' GLN . 8.2 m -108.31 166.51 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -103.89 -162.8 24.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 146' ' ' GLY . 25.1 mmtp -37.35 -59.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -98.84 122.98 42.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 35.1 m -43.91 -29.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.481 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 59.3 m80 -50.96 -41.37 59.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 73.1 p -77.2 132.76 38.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -133.09 113.92 13.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -123.53 147.86 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 7.2 p90 -135.69 146.12 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.25 114.22 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -110.4 166.65 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -116.57 138.09 51.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.4 p -106.51 -50.88 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 166.89 156.4 9.67 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 4.4 m120 61.41 41.61 12.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 61.15 35.16 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -91.16 142.29 27.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -129.8 121.65 27.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -115.95 142.93 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' CYS . . . . . 0.465 ' N ' ' HE1' ' A' ' 80' ' ' MET . 10.7 t -122.68 123.35 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.626 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 88.6 m-70 -115.45 113.92 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 6.0 t -89.55 138.54 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 61.6 m-85 -138.74 144.82 39.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -96.07 133.71 39.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 82.6 m -115.91 163.41 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 20.5 mt-10 -153.5 133.63 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.72 -47.72 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.363 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -121.16 169.9 10.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.51 29.67 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -80.86 -37.65 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.2 -41.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 28.9 p -66.1 -30.12 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.53 -31.89 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -74.66 -34.36 62.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.02 -34.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.407 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 36.1 tt0 -66.56 -37.19 84.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -54.28 -51.42 64.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -46.02 -48.37 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.547 HD13 HG11 ' A' ' 149' ' ' VAL . 13.6 mt -74.21 -35.61 63.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -52.6 -46.41 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -52.89 -47.88 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -61.77 -23.8 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.61 -29.75 27.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.01 -74.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.43 -45.48 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.3 -156.08 16.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.67 118.35 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -102.17 132.8 47.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 71' ' ' GLN . 1.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.83 0.348 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.484 ' N ' ' CG2' ' A' ' 70' ' ' VAL . 20.2 mt-30 -106.89 123.63 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -119.26 129.59 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -121.49 155.45 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 74' ' ' ARG . 3.5 tmt_? -95.92 121.82 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 35.0 m -157.8 164.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -101.07 163.1 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -116.59 100.21 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.9 mp -65.74 -43.07 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.53 -177.81 22.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.2 ttp -103.72 133.15 49.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.7 OUTLIER -124.04 120.09 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.504 ' N ' HD13 ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.8 141.86 46.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.51 172.56 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.21 -23.0 11.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -113.37 142.15 27.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.67 29.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.36 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.749 HG12 ' CB ' ' A' ' 142' ' ' PHE . 18.6 m -143.37 -176.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.97 121.22 3.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.09 -24.03 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.76 -22.71 46.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -85.27 -50.77 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 153' ' ' ALA . 8.7 tt -60.55 -54.16 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -53.39 -57.28 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -42.17 -47.27 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -56.33 -43.14 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.483 ' HA ' HG21 ' A' ' 167' ' ' VAL . 59.4 mt -51.12 -61.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.12 -32.47 47.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.423 ' O ' HG22 ' A' ' 101' ' ' THR . 8.0 t-20 -63.29 -52.77 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 167' ' ' VAL . 10.9 mt -70.09 -34.19 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.24 -47.48 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 98' ' ' ASN . 11.2 t -74.09 -24.93 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.9 t -61.53 -54.43 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -126.61 157.02 39.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.5 m -75.85 177.91 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -68.19 -36.31 79.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -81.4 -21.44 38.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -34.6 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.5 m0 -67.28 118.45 56.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.53 23.48 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.0 m -62.79 117.56 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.93 -177.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -135.44 133.85 39.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 7.9 ttm -86.35 109.08 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.36 98.28 11.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.47 105.49 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -146.71 147.53 31.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 t0 40.23 43.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.496 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.09 43.52 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.9 m -130.46 125.43 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.2 t -100.54 97.65 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 92.7 m -118.36 114.48 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.603 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 90.3 t -78.76 96.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.405 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 4.7 mm -91.77 134.79 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 t -51.21 161.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.58 -62.15 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 36.4 pttt -80.8 -50.34 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 82.0 m-20 -73.59 131.12 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.405 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 58.9 tt0 -102.57 -23.87 13.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -100.81 18.66 18.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.426 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 12.2 tp10 -78.92 -39.1 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.3 p 41.85 45.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' VAL . 62.1 mt -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.09 144.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -128.1 111.26 13.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.6 t -126.1 144.37 50.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -116.02 120.47 39.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 70.2 t -47.98 -47.52 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -49.87 -27.24 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -94.06 -31.45 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.5 tt -45.31 121.75 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.6 t -88.49 -58.48 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.749 ' CB ' HG12 ' A' ' 87' ' ' VAL . 16.7 t80 -138.85 153.01 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.588 ' HB3' HD21 ' A' ' 140' ' ' LEU . 1.2 ptt? -151.58 150.85 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.06 176.28 46.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.64 162.6 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.376 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -85.11 -175.88 50.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -44.53 -29.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.45 ' N ' ' HG2' ' A' ' 147' ' ' LYS . 11.8 m-20 -112.28 137.64 50.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.547 HG11 HD13 ' A' ' 18' ' ' LEU . 31.4 m -59.46 -36.46 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -53.45 -29.62 36.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 69.1 p -91.75 125.56 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -130.4 121.55 26.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.426 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -125.96 173.6 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.404 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 21.7 p90 -164.66 147.33 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 95.1 mt -100.97 132.45 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -128.74 157.87 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -103.96 130.54 51.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 164' ' ' GLU . 16.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -137.76 130.08 29.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLU . . . . . 0.411 ' CD ' HG21 ' A' ' 158' ' ' THR . 93.7 mt-10 -118.22 139.68 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 25.6 t -114.65 111.29 21.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -105.01 141.07 37.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 96' ' ' ILE . 20.8 t -113.69 147.15 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.603 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 62.8 m-85 -145.76 139.29 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -91.17 134.01 34.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 177' ' ' VAL . 84.2 m -121.58 145.32 48.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.2 mm-40 -135.43 135.6 22.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.2 Cg_endo -69.79 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 -1.801 . . . . 0.0 112.331 0.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.19 176.57 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.22 26.29 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.64 -42.96 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.46 -20.04 62.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.491 HG21 ' SG ' ' A' ' 170' ' ' CYS . 53.4 t -91.06 -51.87 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 92.3 p -60.06 -14.19 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.74 -37.53 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.48 77.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 182' ' ' GLN . 11.1 p -74.71 -41.34 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.454 ' N ' HG13 ' A' ' 181' ' ' VAL . 6.4 tt0 -60.56 -47.53 85.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.12 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.496 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -65.38 -33.37 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.809 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' ' 175' ' ' ALA . 59.3 mt -75.59 -39.13 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -52.13 -38.89 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -70.12 -41.11 74.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mmt -55.21 -25.35 32.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -86.33 -37.32 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -55.73 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -114.81 -37.48 4.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 -175.67 19.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -126.23 91.67 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.64 161.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.537 HG21 ' OD1' ' A' ' 114' ' ' ASN . 3.0 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -108.74 120.0 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -108.17 110.05 21.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -103.39 163.14 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -106.71 110.19 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.32 168.29 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -106.08 168.38 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -121.86 111.72 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 167' ' ' VAL . 8.3 mp -70.29 -59.7 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.596 ' HA3' HD22 ' A' ' 99' ' ' LEU . . . 168.65 179.48 40.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.513 ' HE1' ' N ' ' A' ' 165' ' ' CYS . 3.0 tpt -100.07 104.53 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -112.09 114.11 51.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.82 137.0 34.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.641 2.228 . . . . 0.0 112.348 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 163' ' ' PHE . 0.6 OUTLIER -105.84 170.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -99.41 -26.41 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -124.54 144.29 45.76 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.662 0.744 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD3' ' CE2' ' A' ' 163' ' ' PHE . 53.9 Cg_endo -69.75 -19.52 36.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.676 HG12 ' HB2' ' A' ' 142' ' ' PHE . 15.6 m -138.58 172.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.03 144.58 10.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -81.85 -59.19 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -40.82 -29.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 59.4 m -83.09 -49.47 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -58.05 -44.81 87.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' SER . 3.1 m-80 -64.08 -56.95 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 4.0 t -36.15 -48.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.18 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.484 ' HA ' HG21 ' A' ' 167' ' ' VAL . 75.4 mt -49.15 -54.52 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -57.12 -42.23 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.497 ' O ' HG22 ' A' ' 101' ' ' THR . 11.3 t-20 -52.77 -62.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' HA3' ' A' ' 79' ' ' GLY . 10.5 mt -63.41 -32.57 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 mmt -53.0 -44.08 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 98' ' ' ASN . 5.1 t -80.89 -28.24 36.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -66.09 -52.57 47.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -116.97 148.4 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.5 m -80.38 157.72 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 108' ' ' TRP . 66.3 tttt -49.21 -40.28 32.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.24 -37.97 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -46.41 -36.81 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.493 ' CZ2' ' HA ' ' A' ' 105' ' ' LYS . 3.9 m0 -59.9 120.09 47.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 136.97 34.26 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.9 p -66.6 114.19 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.64 176.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -130.28 140.56 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 18.3 tpp -92.46 99.62 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.537 ' OD1' HG21 ' A' ' 70' ' ' VAL . 33.8 t30 -84.28 95.97 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.52 109.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.84 148.33 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 39.55 47.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.441 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 53.69 46.83 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.5 m -138.1 118.13 13.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 135' ' ' CYS . 92.1 t -95.95 99.85 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.581 ' CG2' HG23 ' A' ' 131' ' ' VAL . 12.4 m -115.5 121.03 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.409 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 90.1 t -83.34 97.22 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' A' ' 131' ' ' VAL . 16.0 mm -94.12 133.5 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -64.9 138.06 58.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -59.9 -38.91 83.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -74.29 -54.57 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -103.27 129.41 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -87.11 -28.82 22.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.18 33.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.479 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 35.5 tp10 -94.64 -39.88 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.1 p 43.78 49.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 131' ' ' VAL . 33.4 mt -36.75 -52.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.5 t -129.65 136.88 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -121.49 96.85 5.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 120' ' ' VAL . 53.8 t -117.13 141.12 48.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -118.57 123.73 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.454 HG21 ' HB1' ' A' ' 184' ' ' ALA . 60.7 t -38.49 -35.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.1 mtm-85 -57.8 -45.88 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -74.52 -25.82 59.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 tt -55.98 132.01 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.4 p -105.36 -48.78 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.676 ' HB2' HG12 ' A' ' 87' ' ' VAL . 18.0 t80 -146.17 153.96 41.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.418 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.8 ptp -148.03 154.28 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.69 -174.46 44.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 4.9 m -118.98 154.03 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.447 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -80.1 -167.81 36.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -25.55 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -112.86 124.17 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 26.9 m -55.21 -16.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 55.0 m80 -73.28 -27.5 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 29.4 p -92.74 122.4 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -121.87 113.99 20.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -125.07 157.25 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.435 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.8 p90 -146.17 144.39 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 60.3 mt -98.19 113.73 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -108.89 160.64 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -113.49 123.06 49.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.417 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 29.1 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.79 0.328 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.476 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 7.7 m-85 -137.55 123.9 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLU . . . . . 0.442 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 69.9 mt-10 -119.45 144.7 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.513 ' N ' ' HE1' ' A' ' 80' ' ' MET . 1.8 t -124.26 121.95 36.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 168' ' ' PHE . 35.5 m80 -111.82 117.52 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 78' ' ' LEU . 40.6 t -91.0 139.42 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 77.4 m-85 -139.13 136.89 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -91.83 137.03 32.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.54 161.77 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 39.7 mt-10 -150.45 137.67 11.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.75 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.34 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -118.76 175.74 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 149' ' ' VAL . . . -103.05 39.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.445 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -85.01 -51.85 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -64.83 -23.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.71 -42.72 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 89.2 p -68.49 -33.79 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.94 -38.4 37.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.3 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.57 -33.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -59.88 -27.98 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -73.87 -28.88 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 137' ' ' VAL . . . -62.36 -44.26 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.756 0.312 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.674 HD13 ' HB ' ' A' ' 149' ' ' VAL . 16.9 mt -58.38 -33.98 70.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -53.26 -33.86 54.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -59.47 -43.06 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 mmt -65.83 -11.65 48.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 86.5 mt-30 -106.54 -31.32 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -67.28 -74.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -111.52 -31.11 7.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.22 -173.78 26.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 47.0 t80 -134.86 108.13 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.07 163.45 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 55.8 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.769 HG22 ' CB ' ' A' ' 116' ' ' ALA . 25.0 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.764 0.316 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -97.46 125.2 41.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -121.89 133.75 54.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.79 152.54 43.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.425 ' C ' ' HD3' ' A' ' 74' ' ' ARG . 3.8 tmt_? -98.29 110.3 22.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.9 m -142.81 176.13 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -110.23 168.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -124.37 116.44 22.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.2 mp -79.22 -45.72 19.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.82 168.88 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.0 ttp -86.62 136.34 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.335 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.58 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -131.79 122.19 18.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.664 0.745 . . . . 0.0 110.891 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.75 132.07 22.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.97 154.67 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.72 -25.12 21.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -117.94 143.37 32.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.717 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -21.49 33.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.43 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.57 10.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.2 mmt -80.67 -49.44 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -51.09 -46.65 61.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -59.16 -40.88 86.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.67 -57.58 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.477 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.7 OUTLIER -56.09 -47.52 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.8 t -42.2 -47.43 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.86 -50.93 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 93' ' ' ASN . 82.0 mt -46.31 -57.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -62.52 -55.76 24.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 81' ' ' LEU . 8.9 mt -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -49.3 -48.62 46.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 t -80.11 -12.85 59.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -76.3 -19.49 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.66 179.85 8.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 49.6 m -100.57 165.16 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -61.77 -40.8 96.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.34 -16.3 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.5 -19.76 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.449 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.0 m0 -74.04 121.24 84.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.627 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.9 Cg_endo -69.71 119.04 6.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -56.38 106.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 109' ' ' PRO . 12.3 m -105.98 -178.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -132.54 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.8 tpp -86.5 103.68 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.457 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 44.4 t30 -90.65 96.25 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.61 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.769 ' CB ' HG22 ' A' ' 70' ' ' VAL . . . -148.73 150.36 33.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.0 t0 42.71 49.94 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.02 44.12 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.616 HG23 ' HG3' ' A' ' 136' ' ' ARG . 17.0 m -137.42 116.12 12.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 48.3 t -87.14 106.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -117.82 120.56 38.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.06 93.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -88.77 138.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -69.34 140.97 54.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.88 -33.26 68.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -101.53 36.14 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -171.78 160.07 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -121.88 -34.25 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -102.55 15.42 29.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.418 ' C ' HG12 ' A' ' 131' ' ' VAL . 13.7 tp10 -69.51 -39.56 77.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.702 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.2 p 41.41 47.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.5 mt -34.19 -42.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.4 t -144.33 131.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.28 104.18 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 21.6 t -121.82 144.57 48.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.616 ' HG3' HG23 ' A' ' 119' ' ' THR . 35.6 mtt-85 -121.65 122.88 40.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.5 t -38.25 -45.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -74.93 -35.69 62.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 141' ' ' SER . 2.7 tt -47.95 136.16 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' HD23 ' A' ' 140' ' ' LEU . 95.9 p -110.82 -52.11 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -144.71 155.65 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -152.72 157.39 40.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -171.57 -158.38 15.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.411 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 6.0 m -134.21 163.94 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.38 179.26 43.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.72 120.11 41.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.674 ' HB ' HD13 ' A' ' 18' ' ' LEU . 35.2 m -43.97 -33.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -54.29 -42.68 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 40.1 p -72.82 130.08 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -135.03 118.54 16.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -128.49 172.29 11.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.63 149.46 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 54.5 mt -109.74 117.63 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.5 ptm -117.66 168.17 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -112.3 102.82 10.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.438 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 12.3 mmt85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 7.6 m-85 -137.87 120.9 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -110.94 156.34 21.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 32.6 t -132.4 105.05 7.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -97.85 130.59 44.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 168' ' ' PHE . 2.4 t -103.01 152.95 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 167' ' ' VAL . 81.1 m-85 -153.15 139.08 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -92.37 128.5 38.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 86.8 m -100.91 150.41 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.6 mt-10 -138.49 124.81 12.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.76 -50.46 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -119.92 173.37 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.406 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -89.93 32.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.57 -54.88 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.09 -29.35 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.16 -48.18 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.1 m -69.97 -22.25 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -81.8 -47.43 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.13 67.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 7.6 p -79.27 -38.93 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 29.3 tt0 -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -43.58 -33.1 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 181' ' ' VAL . . . -60.56 -42.21 96.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.849 0.357 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 175' ' ' ALA . 18.3 mt -68.55 -57.46 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' LEU . 90.3 p -36.9 -50.99 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -50.47 -46.68 56.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mtt -54.25 -32.29 55.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 145' ' ' VAL . 41.5 mt-30 -77.85 -26.69 49.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -60.63 -67.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -125.63 -37.63 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.82 -168.96 12.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -137.88 105.41 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' CE1' ' A' ' 26' ' ' TYR . 2.8 mp0 -81.11 156.21 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 19.2 t30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' A' ' 116' ' ' ALA . 7.6 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.737 0.303 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.436 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 26.2 mt-30 -106.11 120.65 42.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -110.49 113.74 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 98.8 m-85 -110.74 163.08 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.488 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -107.5 125.88 51.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 21.7 m -160.1 178.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -113.2 157.41 21.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.0 108.8 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.5 mp -74.47 -32.62 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.93 -166.74 24.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.1 ttp -112.0 128.13 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -123.82 122.15 26.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.526 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.85 132.07 22.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.8 m -109.45 154.78 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.39 -30.96 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -122.65 144.77 43.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -16.97 37.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 m -141.7 175.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.8 134.61 6.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.487 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -69.06 -57.76 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.723 0.297 . . . . 0.0 110.832 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -44.57 -39.23 4.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -65.77 -46.45 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.0 tp -51.01 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -53.52 -55.19 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' ASN . 10.4 t -35.42 -43.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.435 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -73.01 -50.81 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.515 HG23 HG11 ' A' ' 167' ' ' VAL . 19.6 mt -40.95 -55.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 98' ' ' ASN . 56.4 mt-10 -57.62 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 97' ' ' GLU . 7.7 t-20 -36.13 -42.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.4 mt -81.32 -45.85 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -41.77 -42.29 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.9 t -81.07 -31.86 34.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t -57.64 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 p -128.81 157.23 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 67.3 m -82.52 163.66 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -54.32 -44.49 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.97 -31.62 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -61.78 -20.97 64.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.5 m0 -73.92 119.79 77.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 121.43 8.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -57.34 118.48 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -121.22 177.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -129.32 141.39 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 35.6 ttm -95.17 104.06 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.433 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 32.6 t30 -93.84 96.27 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.38 101.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.657 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -137.58 140.84 41.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 t70 51.17 40.96 27.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 57.99 44.8 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 136' ' ' ARG . 26.9 m -140.1 119.16 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.5 t -87.97 111.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -121.85 113.89 20.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.604 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 69.8 t -81.46 94.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.15 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.3 t -59.87 154.01 19.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -51.56 -57.47 9.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -70.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -51.64 118.27 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -104.22 38.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 38.4 tp10 -95.82 -40.69 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.1 p 43.11 46.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -36.25 -39.19 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.4 t -146.66 129.43 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -114.09 104.4 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.4 t -118.85 146.54 44.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' A' ' 119' ' ' THR . 92.6 mtt180 -119.6 122.4 41.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.7 t -40.1 -49.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -50.43 -41.04 51.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -73.56 -31.12 63.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.413 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.3 tt -51.47 123.12 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -92.99 -53.14 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -150.38 151.08 32.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.66 160.03 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.94 -168.26 34.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 22' ' ' GLN . 21.6 m -121.78 150.68 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.407 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -79.8 -167.6 35.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -48.53 -33.4 9.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 149' ' ' VAL . 4.3 m-20 -116.46 112.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.9 m -35.97 -40.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 149' ' ' VAL . 70.5 m80 -40.84 -47.92 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.7 p -75.89 126.82 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -125.65 119.86 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -129.61 162.35 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.2 p90 -151.82 142.94 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 65.4 mt -97.53 132.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' MET . . . . . 0.543 ' SD ' HG23 ' A' ' 158' ' ' THR . 1.4 ppp? -134.93 169.68 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -112.87 133.14 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.543 HG23 ' SD ' ' A' ' 156' ' ' MET . 53.7 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.898 0.38 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.45 122.12 27.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -111.01 149.1 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.5 t -122.88 105.65 10.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -92.39 125.89 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.515 HG11 HG23 ' A' ' 96' ' ' ILE . 5.3 t -103.36 154.03 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.604 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 77.8 m-85 -153.91 144.34 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -95.65 127.18 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.457 ' SG ' HG21 ' A' ' 177' ' ' VAL . 69.7 m -115.67 151.74 34.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.543 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 35.0 mt-10 -142.45 139.21 17.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.8 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.314 0.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -124.11 157.63 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 41.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.5 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -87.07 -42.83 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -74.88 -25.73 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.457 HG21 ' SG ' ' A' ' 170' ' ' CYS . 61.5 t -83.71 -44.83 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.6 p -66.15 -37.01 84.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -73.42 -35.47 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -68.04 -47.95 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 182' ' ' GLN . 11.9 p -66.58 -40.75 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 181' ' ' VAL . 13.3 tt0 -66.06 -35.43 80.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.07 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 185' ' ' CYS . . . . . 0.408 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . 87.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.783 0.325 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.481 HD13 HG11 ' A' ' 149' ' ' VAL . 53.2 mt -66.79 -38.3 86.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -49.05 -43.84 41.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -61.06 -51.63 68.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.3 mmt -46.42 -21.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.455 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 83.9 mt-30 -95.56 -35.91 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -53.02 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -121.56 -40.68 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -163.43 12.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -144.14 112.48 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -97.84 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.918 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -119.39 128.33 53.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -118.42 112.2 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -106.42 162.42 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -100.53 113.05 25.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 111' ' ' VAL . 33.2 m -149.5 164.19 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -106.91 164.25 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.47 108.88 16.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.476 HD13 HG12 ' A' ' 167' ' ' VAL . 7.7 mp -67.75 -51.34 50.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.04 -175.87 33.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.439 ' HE1' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -101.22 105.18 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.631 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.9 OUTLIER -113.33 119.36 42.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.631 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.8 144.99 55.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -114.27 165.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -94.64 -26.36 16.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -125.74 145.26 50.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -18.94 36.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.746 2.297 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.91 HG12 ' HB2' ' A' ' 142' ' ' PHE . 27.1 m -145.7 177.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.96 146.56 14.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.4 mmt -78.8 -53.9 6.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -51.73 -20.72 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.5 m -88.76 -48.42 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.479 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -61.93 -56.54 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' SER . 6.6 m-80 -47.76 -52.49 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 93' ' ' ASN . 23.2 t -38.42 -42.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -62.15 -58.79 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.427 ' HA ' HG21 ' A' ' 167' ' ' VAL . 77.0 mt -35.95 -62.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.26 -48.54 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.599 ' O ' HG22 ' A' ' 101' ' ' THR . 11.5 t-20 -42.65 -60.37 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.04 -43.56 91.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 mtt -46.1 -44.22 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 98' ' ' ASN . 12.4 t -80.62 -21.61 41.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.3 m -72.59 -39.87 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.75 179.66 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.7 m -104.57 163.09 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.34 -41.92 73.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.26 -35.99 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -49.9 -36.4 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -61.86 120.29 55.77 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.478 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.3 Cg_endo -69.8 134.55 28.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -61.91 114.96 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 75' ' ' VAL . 17.6 m -121.95 176.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -133.62 140.75 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.51 105.27 17.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -93.07 96.61 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.09 113.44 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.16 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.7 t0 62.34 47.36 5.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 56.47 40.09 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -131.16 119.17 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.92 99.51 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.1 m -113.76 114.56 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.36 104.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 131' ' ' VAL . 6.8 mm -100.61 135.92 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -53.34 157.05 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -97.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.54 125.51 22.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -93.07 -26.6 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -102.14 26.52 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.6 tp10 -85.66 -30.48 23.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 131' ' ' VAL . 8.6 p 33.5 49.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 131' ' ' VAL . 78.8 mt -36.08 -41.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.72 140.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -123.48 103.21 8.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.1 t -117.7 151.03 38.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 137' ' ' VAL . 84.3 mtt180 -129.15 121.19 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 136' ' ' ARG . 83.9 t -35.43 -53.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 138' ' ' ARG . 14.0 mtp-105 -39.23 -45.65 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.4 -41.14 63.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.3 tt -39.92 113.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.9 p -89.84 -48.03 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.91 ' HB2' HG12 ' A' ' 87' ' ' VAL . 38.7 t80 -148.74 147.27 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.5 ' HB3' HD21 ' A' ' 140' ' ' LEU . 2.7 ptt? -145.57 146.31 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.04 -179.82 39.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 6.5 m -115.94 150.06 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.167 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -82.77 -178.13 52.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 146' ' ' GLY . 48.9 mtpt -35.71 -46.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.29 113.2 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.1 m -38.6 -44.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.493 ' N ' HG23 ' A' ' 149' ' ' VAL . 79.3 m80 -35.22 -42.77 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 65.1 p -82.09 133.25 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -134.03 113.95 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.654 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -126.85 156.65 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -146.25 146.23 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.7 mt -100.62 121.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.2 ptm -121.31 165.5 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -104.53 120.72 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -133.91 118.24 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLU . . . . . 0.434 ' CD ' ' SD ' ' A' ' 80' ' ' MET . 56.6 mt-10 -113.11 146.95 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.2 t -118.61 114.96 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 168' ' ' PHE . 44.6 m80 -104.89 107.62 18.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 153' ' ' ALA . 30.1 t -87.52 151.45 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 76.1 m-85 -151.23 142.1 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -94.21 130.25 40.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.8 m -115.06 152.0 33.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 31.1 mt-10 -140.43 134.94 15.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.82 -48.16 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.33 0.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -120.48 179.88 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.47 34.06 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -81.8 -47.85 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -68.74 -30.02 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.26 -49.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.8 p -57.23 -37.98 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 180' ' ' ALA . 9.3 pt-20 -76.46 -38.2 55.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 179' ' ' GLU . . . -59.29 -44.99 92.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 182' ' ' GLN . 14.8 p -75.4 -42.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.45 ' N ' HG13 ' A' ' 181' ' ' VAL . 23.5 tt0 -51.94 -54.9 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.34 -49.51 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -43.55 -46.43 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 175' ' ' ALA . 16.6 mt -58.72 -49.83 76.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -38.82 -51.72 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -57.11 -44.38 83.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.6 mtt -59.15 -30.4 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.554 ' HG2' HG23 ' A' ' 145' ' ' VAL . 53.7 mt-30 -83.81 -32.66 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -60.38 -63.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -126.73 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -165.54 14.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -130.67 105.79 8.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -89.68 140.92 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' A' ' 116' ' ' ALA . 6.4 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.732 0.301 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.28 134.47 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -123.95 115.15 20.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 180' ' ' ALA . 84.2 m-85 -113.68 154.07 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.93 114.7 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -150.7 159.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -101.14 161.13 13.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -113.91 99.97 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 6.7 mp -55.38 -55.27 33.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.17 -170.9 37.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.1 ttp -103.06 131.14 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.15 116.63 6.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 150.78 68.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.83 154.07 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.28 -31.31 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -123.15 145.03 44.96 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.746 . . . . 0.0 110.812 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -20.67 34.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.43 169.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.7 125.85 4.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.5 mmt -59.01 -60.2 4.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -43.91 -40.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.7 m -66.59 -52.57 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 92' ' ' LEU . 8.1 tt -61.12 -57.91 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.516 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.1 m-80 -47.3 -52.98 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -38.75 -49.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.67 71.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 93' ' ' ASN . 82.2 mt -46.73 -57.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.97 -39.36 85.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 101' ' ' THR . 6.7 t-20 -51.78 -54.35 29.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.95 -42.88 69.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.5 mtt -45.64 -42.83 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 98' ' ' ASN . 15.0 t -80.61 -21.5 41.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.8 t -74.96 -49.19 20.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.4 m -121.55 171.83 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.5 m -97.66 163.21 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 17.9 tttm -56.01 -39.06 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -78.31 -42.32 31.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -45.0 -41.43 7.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 5.6 m0 -55.32 123.36 48.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.494 0.664 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 134.6 28.37 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 m -70.97 107.48 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.08 175.1 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -125.4 134.36 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.9 tpp -86.35 104.44 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -89.65 97.31 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.45 102.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.703 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.39 147.25 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.5 t0 43.31 50.5 5.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.44 44.96 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -136.21 111.59 9.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.69 112.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.0 m -128.27 129.45 46.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.7 100.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.54 HD13 ' HA ' ' A' ' 131' ' ' VAL . 22.6 mm -100.28 130.1 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -51.02 147.98 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -51.2 -59.29 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -75.8 -72.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -54.82 143.91 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -111.84 -21.05 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.468 ' C ' ' CD ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -107.18 34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.432 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 7.2 tp10 -95.65 -39.87 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.6 p 42.01 48.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 131' ' ' VAL . 89.2 mt -34.42 -44.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 84.5 t -137.95 141.9 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -127.09 113.11 15.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 t -134.67 149.23 50.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 137' ' ' VAL . 54.7 mtt85 -118.24 127.28 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 136' ' ' ARG . 86.5 t -37.51 -57.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 138' ' ' ARG . 10.9 mtp-105 -40.45 -51.43 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.1 -39.9 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.97 110.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.0 p -79.3 -53.84 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 143' ' ' MET . 33.4 t80 -154.0 157.18 38.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.424 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.9 OUTLIER -153.1 159.27 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.55 -174.2 39.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.554 HG23 ' HG2' ' A' ' 22' ' ' GLN . 34.6 m -115.25 157.26 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -89.45 177.99 44.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 146' ' ' GLY . 55.0 mmtt -34.99 -41.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -107.05 113.96 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.1 m -38.08 -42.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.462 ' N ' HG23 ' A' ' 149' ' ' VAL . 60.7 m80 -40.82 -46.65 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 81.7 p -78.52 126.34 30.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.436 ' CZ ' HG11 ' A' ' 181' ' ' VAL . 33.7 t80 -127.37 122.15 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.403 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -127.91 162.02 27.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.419 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.3 p90 -153.57 143.44 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 74.9 mt -96.27 130.99 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' MET . . . . . 0.595 ' SD ' HG23 ' A' ' 158' ' ' THR . 3.1 ppp? -126.04 156.21 40.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.81 138.38 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.595 HG23 ' SD ' ' A' ' 156' ' ' MET . 37.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -136.93 121.85 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -108.72 147.54 31.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.0 t -121.14 127.78 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -116.27 110.66 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.417 HG21 ' HA ' ' A' ' 96' ' ' ILE . 11.9 t -88.02 154.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -150.65 162.04 41.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -114.79 140.65 48.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 75.1 m -121.29 155.29 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 85.3 mt-10 -142.23 130.19 11.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.7 -48.56 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.368 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -123.15 161.19 24.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -85.31 37.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -87.15 -31.39 20.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -84.16 -30.47 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 181' ' ' VAL . 76.3 t -82.17 -48.13 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.7 m -56.68 -38.91 72.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.49 -30.25 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . . . -70.94 -53.35 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 152' ' ' PHE . 5.2 p -63.47 -32.25 55.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.83 -46.44 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.3 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.792 0.329 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 173' ' ' ASN . 18.5 mt -59.83 -57.67 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' LEU . 43.4 m -37.88 -44.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -48.08 -58.25 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -45.4 -38.66 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.403 ' HG2' HG23 ' A' ' 145' ' ' VAL . 82.9 mt-30 -72.67 -39.12 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -53.69 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -125.85 -45.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.41 -157.25 15.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -139.98 105.49 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 0.0 110.937 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -92.42 153.4 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 58.6 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 116' ' ' ALA . 2.5 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -112.02 134.43 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -120.37 122.65 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.64 150.82 37.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.67 114.22 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.15 -178.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 46.8 mt-30 -113.04 163.61 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -122.21 102.95 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.633 HD13 HG12 ' A' ' 167' ' ' VAL . 6.5 mp -68.42 -38.61 81.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.58 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.0 ttp -94.42 124.54 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.531 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.9 OUTLIER -125.92 120.12 24.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.916 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.81 142.74 48.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.37 161.82 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -85.01 -34.55 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -124.04 150.62 63.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -18.88 36.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.605 HG12 ' CB ' ' A' ' 142' ' ' PHE . 33.6 m -142.98 170.05 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.89 128.92 3.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.29 -57.84 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.21 -53.23 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.2 m -51.47 -44.2 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.44 -52.1 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.42 -47.37 81.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -39.54 -49.1 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' ASN . . . -62.14 -58.22 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -42.41 -45.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 101' ' ' THR . 45.4 mt-10 -71.38 -30.37 66.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' ALA . 10.9 t-20 -65.84 -44.01 86.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 81' ' ' LEU . 19.3 mt -82.23 -33.96 29.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.402 ' CE ' HG21 ' A' ' 151' ' ' THR . 4.4 mmt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 97' ' ' GLU . 9.8 t -75.78 -23.65 55.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -65.25 -53.75 39.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 p -124.18 -177.95 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 75.4 m -100.87 166.79 10.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.471 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 33.7 tttm -59.36 -42.9 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -71.5 -42.9 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.47 -34.86 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 10.5 m0 -59.18 121.01 52.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.471 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.8 Cg_endo -69.7 130.56 19.62 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.2 p -60.51 120.23 9.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 109' ' ' PRO . 20.8 m -128.25 168.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -122.87 136.05 54.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 37.3 ttm -89.39 100.08 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 35.0 t-20 -86.14 96.5 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.4 t -100.13 105.46 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.525 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.48 140.51 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.5 t0 54.58 43.02 30.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.414 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 54.76 40.28 31.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 136' ' ' ARG . 49.7 m -134.7 119.08 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 135' ' ' CYS . 77.6 t -91.25 106.84 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.9 m -120.78 124.48 45.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 76.3 t -89.62 98.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 14.1 mm -94.32 137.11 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.8 t -53.52 158.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.42 -47.81 18.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -95.4 28.98 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.72 166.24 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 13.6 tt0 -129.13 -34.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.86 31.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.436 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 4.9 tp10 -96.65 -41.04 8.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.1 p 38.0 47.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 131' ' ' VAL . 80.4 mt -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 77.0 t -137.79 134.98 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.62 106.75 12.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' VAL . 42.1 t -123.55 139.89 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.465 ' HG2' HG23 ' A' ' 119' ' ' THR . 40.0 mtm180 -116.8 125.21 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 99.3 t -39.73 -51.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -42.04 -41.88 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -78.32 -35.74 47.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.425 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 tt -45.54 115.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.4 p -85.96 -51.12 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.605 ' CB ' HG12 ' A' ' 87' ' ' VAL . 12.9 t80 -151.35 142.63 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.499 ' HE1' HG22 ' A' ' 181' ' ' VAL . 3.2 ptt? -138.4 144.11 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -161.89 -157.75 9.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.403 HG23 ' HG2' ' A' ' 22' ' ' GLN . 27.1 m -126.88 176.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -112.71 -169.24 17.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.6 mtpp -35.0 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.58 120.9 41.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.436 ' HB ' HD22 ' A' ' 18' ' ' LEU . 27.6 m -44.17 -27.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -53.43 -43.55 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.402 HG21 ' CE ' ' A' ' 100' ' ' MET . 58.4 p -80.09 124.43 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.4 115.14 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.402 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -125.86 152.56 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.89 144.3 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.543 HD12 ' HD2' ' A' ' 142' ' ' PHE . 65.7 mt -98.59 115.87 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -118.96 171.71 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.406 ' C ' ' SD ' ' A' ' 156' ' ' MET . 0.5 OUTLIER -114.02 120.25 39.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.891 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -130.8 117.27 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -109.5 154.65 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.61 120.77 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 168' ' ' PHE . 69.8 m80 -105.41 120.07 40.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.633 HG12 HD13 ' A' ' 78' ' ' LEU . 45.9 t -96.66 137.63 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 82.6 m-85 -141.18 127.97 20.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -83.98 130.32 34.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.647 ' SG ' HG21 ' A' ' 177' ' ' VAL . 71.4 m -110.66 157.51 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 9.2 mm-40 -144.12 130.17 9.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.72 -48.76 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.306 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.492 ' HB2' HD11 ' A' ' 18' ' ' LEU . 45.1 p30 -119.06 173.79 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.47 35.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -58.34 -43.27 88.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.647 HG21 ' SG ' ' A' ' 170' ' ' CYS . 59.0 t -62.49 -61.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 58.1 m -55.55 -26.98 46.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -77.36 -48.71 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -54.92 -53.98 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.499 HG22 ' HE1' ' A' ' 143' ' ' MET . 7.6 p -55.94 -44.62 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.466 ' N ' HG13 ' A' ' 181' ' ' VAL . 35.3 mt-30 -51.04 -50.69 58.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -56.17 -38.12 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 181' ' ' VAL . . . -52.62 -46.91 67.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 175' ' ' ALA . 15.1 mt -62.62 -32.96 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -52.98 -56.23 17.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -47.16 -48.92 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 mtt -53.99 -35.39 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -75.86 -41.8 51.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -52.99 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -124.52 -47.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.71 -166.13 12.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -123.38 106.74 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.938 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -95.05 148.41 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 116' ' ' ALA . 48.6 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.824 0.345 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -100.58 128.51 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -123.98 116.59 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.07 155.37 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.59 126.41 44.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.3 m -154.04 173.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 37.7 mt-30 -109.45 153.81 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -111.63 101.99 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.48 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.2 mp -65.24 -43.1 92.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.489 ' O ' HD11 ' A' ' 99' ' ' LEU . . . 142.83 174.44 15.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.1 ttp -93.14 130.24 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -126.7 121.26 23.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.907 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.526 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.73 134.79 28.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.65 164.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.57 -23.24 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -120.5 144.09 37.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 54.0 Cg_endo -69.68 -24.77 29.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -142.51 177.53 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.95 10.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -78.29 -57.25 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.51 -21.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.7 m -88.69 -48.52 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 92' ' ' LEU . 9.2 tt -63.36 -44.58 94.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -61.58 -55.49 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -40.57 -45.27 2.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.1 -50.93 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' A' ' 167' ' ' VAL . 90.0 mt -46.54 -62.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.28 -43.88 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -48.48 -52.17 23.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 79' ' ' GLY . 87.8 mt -70.5 -40.72 73.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.3 mtt -51.78 -45.66 63.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -19.56 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.2 t -71.46 -45.45 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -135.52 178.02 7.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.432 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 1.2 m -98.53 166.07 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.1 tttm -59.9 -30.37 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -78.42 -37.05 44.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.03 -33.47 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.487 ' CD2' ' HA ' ' A' ' 105' ' ' LYS . 5.3 m0 -63.93 117.22 33.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.526 0.679 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.501 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.6 Cg_endo -69.73 126.34 13.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.4 m -62.73 111.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 109' ' ' PRO . 5.8 m -112.63 -176.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -131.07 138.76 49.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 21.3 ttm -93.3 110.24 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 28.5 t-20 -93.88 97.17 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.38 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.829 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -149.19 142.92 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.8 t0 52.01 38.4 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 55.94 40.2 30.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 16.9 m -131.77 117.6 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.73 107.71 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.449 ' CG2' HG23 ' A' ' 131' ' ' VAL . 38.6 m -124.53 125.15 43.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.4 t -89.68 101.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.3 mm -96.6 139.44 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -58.83 153.78 16.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.44 -48.98 53.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 19.0 pttm -79.31 -50.5 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 50.2 m-20 -88.3 146.85 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -105.18 -32.34 8.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.15 40.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -100.24 -33.2 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 131' ' ' VAL . 10.9 p 34.13 48.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 131' ' ' VAL . 88.1 mt -34.51 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 74.2 t -143.68 138.93 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -122.61 110.58 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.47 152.29 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -128.29 128.79 45.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 118' ' ' ALA . 84.9 t -40.34 -46.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -50.71 -41.22 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' A' ' 157' ' ' ASP . 8.9 m-85 -76.68 -36.54 57.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.1 tt -45.36 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.4 p -72.28 -46.18 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -154.67 155.55 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.735 ' HB3' HD21 ' A' ' 140' ' ' LEU . 1.8 ptt? -151.19 155.08 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -170.14 -168.81 32.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.48 165.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -95.44 178.06 35.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 146' ' ' GLY . 16.8 ptmt -36.71 -36.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.19 120.73 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 14.5 m -45.61 -30.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -52.84 -38.65 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.442 ' CG2' ' CZ3' ' A' ' 169' ' ' TRP . 54.9 p -86.64 134.62 33.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -136.12 115.82 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -121.78 159.26 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.421 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.6 p90 -147.31 145.59 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 91.0 mt -101.03 133.55 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' MET . . . . . 0.504 ' SD ' HG22 ' A' ' 158' ' ' THR . 2.2 ppp? -130.79 164.48 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' A' ' 139' ' ' PHE . 5.2 p-10 -105.74 123.07 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.504 HG22 ' SD ' ' A' ' 156' ' ' MET . 6.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 9.6 m-85 -137.82 134.75 35.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -120.01 150.12 41.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.1 t -117.46 109.99 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 168' ' ' PHE . 68.6 m80 -96.79 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.52 HG21 ' HA ' ' A' ' 96' ' ' ILE . 10.6 t -96.82 136.16 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.444 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 54.5 m-85 -136.22 153.87 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.442 ' CZ3' ' CG2' ' A' ' 151' ' ' THR . 29.6 t-105 -103.4 129.61 50.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 177' ' ' VAL . 83.7 m -114.93 152.07 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.557 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 29.1 mt-10 -142.72 139.63 17.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.348 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -121.91 161.58 22.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.85 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -69.9 -46.35 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.07 -43.47 71.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.626 HG21 ' SG ' ' A' ' 170' ' ' CYS . 69.2 t -67.2 -61.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.0 p -54.88 -17.28 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.13 -46.43 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.69 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -80.4 -36.81 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -60.45 -46.09 91.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.71 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -55.09 -46.87 75.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -55.1 -45.02 75.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.6 t -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -54.36 -54.72 36.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.472 ' HE3' ' HB3' ' A' ' 178' ' ' SER . 12.5 mmt -45.02 -37.66 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -79.78 -41.17 27.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -50.77 -58.13 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -130.02 -45.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.31 -167.8 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -134.88 114.76 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.952 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -103.22 155.14 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.588 HG23 ' HB2' ' A' ' 116' ' ' ALA . 4.3 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -104.93 126.19 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -116.96 120.85 39.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.24 159.74 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -102.09 121.42 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -154.58 173.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -111.63 160.3 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CD1' ' CE1' ' A' ' 168' ' ' PHE . 14.3 t80 -120.03 103.62 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mp -65.43 -49.62 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.69 167.29 14.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.561 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 14.4 ttp -78.38 124.91 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD23 ' CD2' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -127.5 117.27 21.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.409 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.78 149.87 67.31 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 m -127.7 158.58 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.09 -36.77 34.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -119.81 149.85 49.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.71 37.52 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.63 HG12 ' CB ' ' A' ' 142' ' ' PHE . 18.5 m -145.41 173.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.88 117.36 3.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -56.08 -55.46 32.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.2 -35.13 3.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -77.16 -50.61 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 153' ' ' ALA . 6.6 tt -57.42 -53.78 54.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.407 ' HA ' HD12 ' A' ' 96' ' ' ILE . 6.4 m-80 -55.72 -35.34 66.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -65.56 -45.99 81.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.55 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.5 ' HA ' HG21 ' A' ' 167' ' ' VAL . 90.5 mt -55.9 -53.36 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -60.71 -42.37 97.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -45.98 -36.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.56 ' CD2' HD23 ' A' ' 81' ' ' LEU . 32.2 mt -86.85 -48.49 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.67 -34.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -87.02 -39.91 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.9 p -58.73 -34.06 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -140.75 154.89 46.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.455 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 40.4 m -84.44 159.59 20.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.546 ' HA ' ' CH2' ' A' ' 108' ' ' TRP . 79.4 tttt -49.83 -45.21 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -71.89 -44.84 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.92 -39.76 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.546 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 2.8 m0 -58.77 119.96 41.72 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.553 0.692 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.77 13.72 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.1 m -59.79 117.26 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.38 178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -131.23 141.21 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.0 tpp -93.99 107.65 19.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -94.55 98.38 10.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 84.7 t -103.73 110.71 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.588 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -152.37 133.93 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 t0 56.07 44.02 26.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.406 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 56.68 42.11 27.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -134.44 113.97 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -92.01 102.41 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.548 ' CG2' HG23 ' A' ' 131' ' ' VAL . 28.8 m -117.6 119.72 35.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.9 97.82 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 131' ' ' VAL . 13.2 mm -93.52 133.32 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -58.52 147.73 30.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.1 -55.17 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -69.78 -63.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -78.52 138.38 38.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -97.66 -35.14 10.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.07 41.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -99.55 -32.48 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.7 p 35.31 48.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' VAL . 71.5 mt -35.55 -44.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.6 t -137.89 140.51 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -125.75 109.21 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 42.5 t -128.27 150.62 49.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 137' ' ' VAL . 50.4 mtt85 -125.83 121.63 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.682 HG11 ' HA ' ' A' ' 185' ' ' CYS . 57.9 t -34.43 -46.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -46.36 -49.38 17.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -71.14 -36.88 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.7 tt -39.12 118.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 77.6 p -88.41 -50.66 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.63 ' CB ' HG12 ' A' ' 87' ' ' VAL . 35.2 t80 -151.75 155.82 39.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 3.5 ptp -145.76 144.88 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -167.53 171.87 42.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.3 m -107.32 157.24 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.451 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -89.22 -177.95 45.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.6 OUTLIER -35.92 -44.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.67 119.13 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.04 -23.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -60.02 -40.42 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 45.6 p -80.88 129.32 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -135.54 114.46 12.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.581 ' HB2' ' HA ' ' A' ' 167' ' ' VAL . . . -125.46 167.98 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -150.79 140.03 21.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.25 121.04 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 8.9 ptm -118.8 167.27 11.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -106.15 105.51 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.4 mpt_? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.28 124.84 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -116.83 147.1 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 51.8 t -115.05 106.48 14.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.1 m-70 -97.0 107.6 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.581 ' HA ' ' HB2' ' A' ' 153' ' ' ALA . 11.6 t -89.16 148.29 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 84.0 m-85 -148.85 136.29 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -89.06 139.65 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.7 ' SG ' HG21 ' A' ' 177' ' ' VAL . 69.8 m -121.62 161.68 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 18.4 mt-10 -149.77 131.73 7.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.74 . . . . 0.0 110.934 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.9 Cg_endo -69.77 -49.43 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.366 0.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -120.5 172.21 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.55 40.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -83.92 -56.72 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -61.55 -39.99 93.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.7 HG21 ' SG ' ' A' ' 170' ' ' CYS . 93.1 t -63.93 -59.9 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' SER . . . . . 0.472 ' HB3' ' HE3' ' A' ' 21' ' ' MET . 6.9 m -55.8 -42.41 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.94 -50.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.54 -60.14 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 182' ' ' GLN . 6.2 p -53.98 -42.56 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.422 ' N ' HG13 ' A' ' 181' ' ' VAL . 1.2 tp-100 -47.11 -44.72 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.82 -46.84 86.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -51.66 -44.61 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' CYS . . . . . 0.682 ' HA ' HG11 ' A' ' 137' ' ' VAL . 73.8 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.6 t60 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.656 HD13 HG11 ' A' ' 149' ' ' VAL . 59.2 mt -61.16 -63.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' LEU . 16.2 p -35.87 -41.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -61.33 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.2 mmt -50.18 -21.77 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -95.93 -33.57 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.17 -73.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.77 -37.55 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.34 -174.24 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -117.65 96.69 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -89.71 142.72 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.885 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 116' ' ' ALA . 3.0 p . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.8 0.333 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.49 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 27.2 mt-30 -116.03 147.44 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -129.93 119.31 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 26.6 m-85 -119.27 158.43 26.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -99.2 121.24 40.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -147.73 177.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -117.44 154.56 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CD1' ' CE2' ' A' ' 168' ' ' PHE . 11.0 t80 -110.32 107.03 16.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.489 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.3 mp -70.42 -37.66 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.62 -172.05 22.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -104.96 129.76 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 82' ' ' PRO . 1.4 tm? -126.55 123.67 24.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.58 0.705 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.685 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.78 137.58 35.74 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -119.34 178.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -113.49 -24.19 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -119.53 144.63 37.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -21.97 33.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.609 HG12 ' CB ' ' A' ' 142' ' ' PHE . 23.2 m -144.83 176.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.81 139.49 5.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -72.68 -53.75 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -55.95 -44.39 78.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.3 m -60.5 -55.77 29.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 92' ' ' LEU . 5.6 tt -57.5 -50.28 73.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.406 ' N ' HD23 ' A' ' 92' ' ' LEU . 67.6 m-20 -62.32 -36.94 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.6 t -51.93 -37.11 51.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -70.71 -46.91 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.508 ' HA ' HG21 ' A' ' 167' ' ' VAL . 91.7 mt -40.67 -58.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.84 -47.14 85.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 101' ' ' THR . 10.3 t-20 -47.31 -47.71 25.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 81' ' ' LEU . 58.7 mt -74.91 -48.54 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 mtt -44.0 -39.27 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 98' ' ' ASN . 14.6 t -80.49 -25.0 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' LEU . 32.5 t -69.24 -39.48 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -135.1 160.43 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.485 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.2 t -79.6 173.28 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -71.94 -12.83 61.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -95.82 -37.81 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.39 -24.89 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.489 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 8.8 m0 -71.24 116.11 43.62 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.95 22.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.733 2.289 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.4 m -66.98 104.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 m -107.29 167.26 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -115.97 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 22.5 tpp -87.39 113.33 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.423 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 16.8 t-20 -98.96 98.28 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.78 99.04 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.617 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -139.25 132.31 29.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 t70 55.2 37.45 28.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 64.03 36.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 136' ' ' ARG . 50.3 m -126.59 114.78 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.99 96.4 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.1 m -109.56 110.88 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 93.4 t -77.46 91.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.7 mm -88.35 142.13 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -62.73 160.39 14.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.38 -28.09 27.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -98.49 4.58 48.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -148.43 163.64 36.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.94 -13.35 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.45 16.03 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' VAL . 10.9 tp10 -77.5 -31.09 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.4 p 34.1 47.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' VAL . 75.5 mt -35.55 -43.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 67.6 t -142.29 135.04 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -115.31 99.71 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -114.43 149.11 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.593 ' HG2' HG23 ' A' ' 119' ' ' THR . 25.6 mtp180 -136.42 147.45 47.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 118' ' ' ALA . 5.4 t -72.24 -2.14 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -75.23 -35.31 61.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 136' ' ' ARG . 34.4 p90 -120.49 23.64 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 143' ' ' MET . 8.6 tt -78.71 85.23 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.6 p -39.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.609 ' CB ' HG12 ' A' ' 87' ' ' VAL . 12.0 t80 -151.03 152.27 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.56 ' HB3' HD21 ' A' ' 140' ' ' LEU . 2.6 ptt? -134.66 149.8 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.8 167.72 40.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.1 m -101.77 165.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.11 -173.47 40.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -39.99 -37.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -110.85 127.15 55.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.656 HG11 HD13 ' A' ' 18' ' ' LEU . 22.6 m -49.39 -19.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.517 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 26.0 m80 -63.84 -37.68 88.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.4 p -83.92 127.36 33.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -133.47 115.21 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.2 173.7 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.5 p90 -164.17 145.06 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 164' ' ' GLU . 66.3 mt -99.74 138.7 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.8 ptm -149.07 156.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.14 136.6 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -126.91 122.89 35.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 155' ' ' ILE . 15.3 mm-40 -107.13 169.35 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.85 100.12 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -93.93 124.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 96' ' ' ILE . 15.2 t -105.98 154.68 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.452 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 89.3 m-85 -155.14 143.58 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.517 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 30.3 t-105 -99.76 130.78 46.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.4 m -114.03 163.04 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.544 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 61.6 mt-10 -150.7 136.95 10.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.76 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.321 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -125.52 159.41 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -83.25 36.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.81 -44.97 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -74.08 -46.12 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.11 -60.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.8 p -51.92 -39.28 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.4 -44.48 95.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.21 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.02 -37.36 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -61.06 -49.04 78.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.08 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -64.8 -40.15 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 175' ' ' ALA . 29.0 mt -77.25 -42.16 38.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 m -39.9 -55.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -53.96 -53.24 55.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.5 mmt -47.69 -22.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.482 ' CD ' HG23 ' A' ' 145' ' ' VAL . 13.4 mm-40 -95.96 -38.46 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.34 -64.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -124.09 -40.73 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.95 -154.24 16.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 182' ' ' GLN . 33.1 t80 -140.22 107.33 5.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -89.31 149.58 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 49.9 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.439 HG21 ' OD1' ' A' ' 114' ' ' ASN . 2.2 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.714 0.292 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -114.69 126.3 54.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -120.71 161.72 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.49 120.31 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.85 -176.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -121.73 160.85 23.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.91 111.96 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.8 mp -72.22 -43.66 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.03 -175.99 28.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.44 ' HG2' ' CD ' ' A' ' 164' ' ' GLU . 11.7 ttp -99.4 118.99 37.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -129.38 114.9 18.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.967 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.77 161.51 45.66 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.16 164.86 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -89.58 -31.22 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.72 152.5 77.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -20.4 34.72 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.635 HG12 ' CB ' ' A' ' 142' ' ' PHE . 26.3 m -139.53 176.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.02 125.07 4.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -59.68 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -44.66 -36.37 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.7 m -73.71 -53.39 10.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.8 -52.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' SER . 25.7 m-20 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 47.2 t -36.74 -45.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -61.1 -56.87 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' ALA . 69.2 mt -36.37 -53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' ' 97' ' ' GLU . 5.7 mp0 -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -44.61 -53.65 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 81' ' ' LEU . 54.6 mt -69.87 -42.32 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.7 mmt -46.25 -51.73 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -78.25 -19.33 53.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -62.6 -48.3 80.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -136.31 179.02 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.3 m -95.85 166.69 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.594 ' HD2' ' CZ3' ' A' ' 108' ' ' TRP . 17.6 tptp -61.87 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -73.29 -29.15 62.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -67.09 -21.01 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CZ3' ' HD2' ' A' ' 105' ' ' LYS . 13.7 m0 -78.7 115.49 52.23 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.56 0.695 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.98 46.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.9 m -70.49 131.49 44.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.61 162.83 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -115.72 130.19 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 27.8 tpp -85.71 106.5 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.439 ' OD1' HG21 ' A' ' 70' ' ' VAL . 30.6 t30 -95.33 97.64 9.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.22 103.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.31 141.04 35.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 49.75 41.8 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 59.26 36.8 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.4 m -128.4 119.75 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.47 102.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -116.69 117.75 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 65.2 t -86.26 106.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.4 mm -99.64 143.57 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -79.36 148.68 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -41.58 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -59.87 -59.25 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -122.65 145.65 48.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 1.8 mp0 -88.55 -20.39 25.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -95.01 36.13 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.515 ' OE2' HD23 ' A' ' 132' ' ' LEU . 21.0 tp10 -104.22 -30.7 10.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.2 p 35.08 52.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.515 HD23 ' OE2' ' A' ' 130' ' ' GLU . 74.1 mt -36.65 -43.23 0.4 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.9 t -142.81 134.73 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -121.03 103.48 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -120.09 140.16 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -116.72 123.59 47.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 118' ' ' ALA . 60.2 t -42.92 -43.15 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -49.2 -45.63 44.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.06 -34.78 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.428 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.0 tt -46.54 125.94 7.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.418 ' N ' HD23 ' A' ' 140' ' ' LEU . 30.7 p -95.59 -59.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.635 ' CB ' HG12 ' A' ' 87' ' ' VAL . 30.6 t80 -144.72 153.67 41.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -153.78 163.91 39.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.04 -167.15 35.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.482 HG23 ' CD ' ' A' ' 22' ' ' GLN . 17.4 m -119.62 156.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -90.14 178.13 43.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.7 OUTLIER -34.59 -42.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -103.79 115.33 30.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.0 m -42.47 -37.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -45.65 -41.08 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 35.9 p -78.27 135.79 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.09 117.04 11.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -130.18 165.1 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -152.07 145.18 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 72.6 mt -95.78 124.84 48.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.1 ptm -125.88 166.51 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 123.78 50.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.428 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 3.4 mmp_? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -137.49 117.24 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLU . . . . . 0.628 ' OE1' ' CE1' ' A' ' 166' ' ' HIS . 4.1 tm-20 -106.98 156.35 18.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 164' ' ' GLU . 4.6 t -125.04 125.33 43.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.628 ' CE1' ' OE1' ' A' ' 164' ' ' GLU . 66.7 m80 -113.74 113.06 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 153' ' ' ALA . 24.8 t -90.19 149.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -147.43 138.3 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.495 ' CE2' ' HE2' ' A' ' 105' ' ' LYS . 51.1 t-105 -91.35 134.08 34.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 174' ' ' ALA . 75.8 m -111.11 150.16 29.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.7 mt-10 -137.47 127.34 15.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -49.96 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.307 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' A' ' 175' ' ' ALA . 35.5 p-10 -123.1 169.52 11.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 170' ' ' CYS . . . -93.46 36.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.491 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -69.53 -45.99 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -79.92 -54.52 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 86.1 t -43.31 -62.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.2 t -60.71 -28.96 69.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.31 -29.18 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -73.27 -52.24 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.55 -35.62 73.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.569 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 33.4 tt0 -57.49 -47.6 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -45.82 -41.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 175' ' ' ALA . 13.7 mt -57.38 -52.83 63.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' LEU . 64.8 m -35.13 -49.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -56.69 -46.6 81.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 mtt -53.94 -38.92 65.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.458 ' HG2' HG23 ' A' ' 145' ' ' VAL . 80.2 mt-30 -68.37 -41.18 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -49.59 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -130.04 -41.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.77 177.12 18.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -130.68 95.74 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -72.61 176.98 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.916 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.431 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 37.2 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 116' ' ' ALA . 3.2 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.805 0.336 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -107.52 142.55 37.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -132.64 109.9 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.68 152.4 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.517 ' O ' HG13 ' A' ' 75' ' ' VAL . 3.1 tmt_? -92.21 128.59 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 74' ' ' ARG . 28.4 m -160.31 175.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -120.28 152.62 37.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -103.74 117.95 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.03 -57.5 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.16 -171.02 42.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.472 ' HE1' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -109.42 100.28 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.735 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -106.01 122.58 41.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.675 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.74 156.59 63.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.459 HG13 ' HB2' ' A' ' 165' ' ' CYS . 11.4 m -128.29 153.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -85.42 -30.61 23.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -124.46 150.48 64.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.08 30.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.882 HG12 ' HB2' ' A' ' 142' ' ' PHE . 23.8 m -140.71 164.98 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.62 121.26 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmt -53.97 -57.92 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.319 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.38 -46.78 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.2 m -61.16 -43.77 98.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.712 HD13 ' HE2' ' A' ' 142' ' ' PHE . 5.3 tp -60.95 -54.62 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.33 -53.44 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -38.55 -46.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.7 -55.12 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.457 ' HA ' HG21 ' A' ' 167' ' ' VAL . 59.9 mt -38.23 -68.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.97 -52.67 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.98 -42.37 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 81' ' ' LEU . 84.1 mt -80.92 -40.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 12.1 mtp -49.68 -45.72 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 t -77.69 -29.66 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.1 m -61.27 -51.93 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -118.82 177.82 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -101.85 156.8 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 66.2 tttt -52.41 -45.28 65.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -43.73 -39.48 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 9.2 m0 -56.08 123.07 52.03 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 140.68 43.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.353 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.5 p -67.36 119.46 12.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.452 HG23 HG23 ' A' ' 75' ' ' VAL . 30.6 m -131.13 173.28 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -131.87 152.83 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.1 ttm -101.13 104.2 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 31.4 t-20 -90.39 97.05 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.3 110.1 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.579 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -150.93 126.86 10.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.1 t0 62.65 37.35 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 62.0 43.16 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -132.3 115.53 15.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.9 t -90.1 101.13 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.7 m -116.77 119.22 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.503 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 62.3 t -85.62 105.25 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 131' ' ' VAL . 15.3 mm -103.23 129.88 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -53.26 139.34 29.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -65.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -69.98 -71.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -58.44 131.04 49.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.86 -28.1 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -102.48 40.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.417 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 7.2 tp10 -98.66 -38.43 9.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.6 p 40.67 47.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.417 ' HG ' ' CG ' ' A' ' 130' ' ' GLU . 67.9 mt -37.39 -47.42 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.6 t -134.47 139.33 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -125.06 105.09 8.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.9 t -124.04 151.99 43.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 139' ' ' PHE . 27.1 mtp180 -127.74 128.4 45.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 136' ' ' ARG . 90.9 t -37.47 -47.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -51.39 -43.37 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 22.5 m-85 -74.66 -32.84 62.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 tt -43.06 137.41 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.43 ' OG ' HG22 ' A' ' 155' ' ' ILE . 80.5 p -108.6 -41.95 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.882 ' HB2' HG12 ' A' ' 87' ' ' VAL . 15.0 t80 -155.0 165.12 37.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.565 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 4.5 ptp -159.11 152.14 22.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -178.8 -156.49 17.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 22' ' ' GLN . 12.3 m -138.46 155.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -85.21 -178.89 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.8 mtmm -35.36 -42.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.3 121.7 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.4 ' HB ' HD13 ' A' ' 18' ' ' LEU . 26.3 m -44.22 -26.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -53.95 -41.74 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 76.2 p -84.78 124.71 31.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -128.72 116.88 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.416 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -122.86 166.25 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 20.9 p90 -151.24 137.27 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.43 HG22 ' OG ' ' A' ' 141' ' ' SER . 74.2 mt -96.45 124.93 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.7 ptm -122.17 166.88 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.18 115.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.409 HG21 ' OE1' ' A' ' 164' ' ' GLU . 68.1 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.901 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLU . . . . . 0.409 ' OE1' HG21 ' A' ' 158' ' ' THR . 84.1 mt-10 -107.75 146.25 32.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.459 ' HB2' HG13 ' A' ' 83' ' ' VAL . 7.9 t -114.31 116.54 29.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 168' ' ' PHE . 42.3 m80 -109.1 109.72 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' A' ' 96' ' ' ILE . 17.9 t -89.58 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.503 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 95.3 m-85 -143.93 136.97 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -86.19 136.34 33.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.78 148.6 45.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 23.4 mm-40 -139.92 134.13 15.73 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.7 -48.32 0.27 Allowed 'Cis proline' 0 C--N 1.34 0.117 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.347 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -118.13 176.99 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -104.33 38.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.576 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -83.23 -61.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -54.18 -40.01 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.5 t -68.51 -50.93 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.5 m -58.58 -55.0 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -58.23 -38.18 76.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -59.28 -60.31 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 182' ' ' GLN . 14.7 p -61.05 -40.84 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.439 ' N ' HG13 ' A' ' 181' ' ' VAL . 11.8 tt0 -58.51 -50.69 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.49 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.27 98.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 99.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.56 HD13 ' HB ' ' A' ' 149' ' ' VAL . 17.7 mt -64.27 -51.55 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' GLN . 16.3 m -40.36 -51.29 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -40.49 -40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.54 ' HE1' ' HB3' ' A' ' 178' ' ' SER . 6.5 mtt -61.33 -39.29 89.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' SER . 94.4 mt-30 -72.31 -27.1 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -60.33 -63.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -124.07 -48.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.59 -176.64 16.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 182' ' ' GLN . 31.7 t80 -122.42 102.57 8.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -85.45 158.3 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.839 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.8 0.333 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 27.0 mt-30 -104.03 119.94 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -107.8 120.33 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 94.7 m-85 -116.97 153.43 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -99.16 118.12 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -150.59 171.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -107.9 162.29 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -118.87 106.52 12.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.456 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.3 mp -69.42 -36.73 76.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.9 -172.88 22.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.521 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.3 ttp -99.58 139.01 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -141.77 117.8 7.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.949 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.486 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.79 147.87 63.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 m -123.86 177.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -107.02 -28.43 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -122.69 146.22 47.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.457 ' O ' HG21 ' A' ' 155' ' ' ILE . 54.2 Cg_endo -69.73 -19.99 35.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.617 HG12 ' HB3' ' A' ' 142' ' ' PHE . 20.2 m -141.69 167.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.5 124.45 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.9 mmm -59.41 -52.6 64.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.39 -47.46 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.5 m -57.63 -56.93 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 93' ' ' ASN . 7.0 tt -61.47 -62.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.577 ' N ' HD23 ' A' ' 92' ' ' LEU . 15.9 m-20 -43.2 -43.84 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -48.04 -48.93 32.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -55.33 -46.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.604 ' HA ' HG21 ' A' ' 167' ' ' VAL . 68.7 mt -46.54 -52.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.75 -35.74 82.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.9 -45.84 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.497 ' CD2' HD23 ' A' ' 81' ' ' LEU . 84.6 mt -76.87 -39.74 50.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.1 mtt -48.73 -50.39 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 t -72.15 -18.2 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t -70.23 -50.03 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.6 m -127.27 165.93 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.6 m -88.21 157.6 18.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.487 ' HA ' ' CE3' ' A' ' 108' ' ' TRP . 58.8 tttt -49.62 -46.8 49.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.6 -44.99 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.33 -26.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.487 ' CE3' ' HA ' ' A' ' 105' ' ' LYS . 31.0 m0 -66.86 121.33 77.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 122.2 8.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.1 m -63.01 108.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.4 m -111.08 170.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -118.34 141.21 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.8 tpp -96.06 108.65 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -95.61 99.11 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.02 108.89 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.48 134.8 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 t70 56.28 37.37 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.443 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 65.44 32.26 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 84.7 m -121.74 120.79 35.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.76 99.66 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.524 ' CG2' HG23 ' A' ' 131' ' ' VAL . 24.5 m -114.86 120.45 40.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -85.16 94.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.2 mm -89.78 136.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.3 t -50.54 168.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.34 -49.61 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -113.55 -59.54 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.83 108.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 2.1 tp10 -86.49 -13.95 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.73 19.13 20.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -87.83 -42.55 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.4 p 39.52 48.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -33.44 -39.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 131' ' ' VAL . 53.8 t -146.69 138.49 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -122.61 99.52 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 49.9 t -114.81 150.36 35.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 137' ' ' VAL . 65.0 mtt180 -130.15 119.36 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 136' ' ' ARG . 90.9 t -35.11 -51.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -39.52 -48.74 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.94 -35.67 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 141' ' ' SER . 3.8 tt -43.9 138.38 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 140' ' ' LEU . 86.1 p -113.07 -40.13 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 143' ' ' MET . 0.0 OUTLIER -160.44 166.72 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.682 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 9.7 ptt? -165.5 154.53 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.02 175.62 45.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.96 157.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -89.3 -157.94 33.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -50.29 -53.47 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.71 117.08 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.56 ' HB ' HD13 ' A' ' 18' ' ' LEU . 28.1 m -49.25 -26.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -51.98 -27.95 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 50.1 p -99.51 133.85 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -131.37 121.26 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.576 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -130.94 154.86 47.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -141.41 147.82 38.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' A' ' 142' ' ' PHE . 69.3 mt -97.64 115.61 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 14.6 ptm -115.42 162.38 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.06 116.34 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 46.2 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.434 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.2 mpt_? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.13 118.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLU . . . . . 0.434 ' OE2' ' C ' ' A' ' 81' ' ' LEU . 14.3 tp10 -107.3 153.99 21.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.0 t -124.11 125.86 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -120.05 127.11 52.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.604 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.2 t -97.0 156.77 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -155.68 132.25 10.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -85.55 139.29 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 85.8 m -125.65 153.9 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 77.2 mt-10 -144.25 130.81 10.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.74 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.297 0.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -120.41 177.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.539 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -95.15 26.58 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -73.71 -58.14 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.22 -22.14 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.4 t -86.64 -55.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' SER . . . . . 0.54 ' HB3' ' HE1' ' A' ' 21' ' ' MET . 7.1 m -54.27 -47.27 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.93 -33.49 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -67.91 -49.79 59.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.38 -33.17 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.414 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 37.0 mt-30 -60.71 -52.59 64.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.64 38.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -44.0 -41.62 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.5 mt -68.45 -45.31 72.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -45.48 -42.71 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -54.09 -54.4 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.4 mmt -46.58 -26.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -92.51 -29.63 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.41 -74.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -113.41 -36.01 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.84 166.61 25.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE2' ' CG ' ' A' ' 182' ' ' GLN . 29.5 t80 -104.43 92.83 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.637 ' OE2' HG11 ' A' ' 87' ' ' VAL . 3.2 mm-40 -77.3 169.34 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.627 HG21 ' OD1' ' A' ' 114' ' ' ASN . 1.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 15.9 mt-30 -96.87 129.18 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.24 119.38 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 71' ' ' GLN . 36.0 m-85 -125.02 120.66 32.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.589 ' O ' HG13 ' A' ' 75' ' ' VAL . 4.1 tpp85 -66.86 139.68 57.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 74' ' ' ARG . 18.9 m -161.8 -176.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -126.27 139.31 53.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -100.69 102.91 14.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.4 mp -65.76 -34.55 78.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.18 173.95 13.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.515 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 7.0 tmm? -86.48 138.22 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.501 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -138.85 114.72 8.62 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.501 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.71 145.52 57.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -127.33 161.67 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.86 -30.53 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -114.99 144.42 32.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.421 ' O ' HG21 ' A' ' 155' ' ' ILE . 53.5 Cg_endo -69.8 -21.17 33.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.825 HG12 ' HB3' ' A' ' 142' ' ' PHE . 35.0 m -141.76 -178.21 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.47 139.52 7.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.77 -42.96 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.53 -24.62 65.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -88.55 -45.89 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 153' ' ' ALA . 8.9 tt -59.1 -54.42 47.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.505 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.9 m-80 -54.44 -49.99 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 t -40.9 -49.79 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.96 -57.89 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' A' ' 167' ' ' VAL . 81.0 mt -37.84 -51.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -61.86 -47.7 83.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.57 ' O ' HG22 ' A' ' 101' ' ' THR . 7.5 t-20 -44.31 -53.39 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.2 mt -73.54 -49.37 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.0 mtt -40.89 -40.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 98' ' ' ASN . 15.4 t -82.03 -28.83 32.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 99' ' ' LEU . 53.3 m -56.3 -53.62 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 p -129.22 -179.19 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 11.2 m -90.48 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.403 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 43.1 tttm -54.11 -47.88 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.0 -30.61 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -57.11 -26.61 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 7.6 m0 -69.77 128.92 91.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 122.0 8.67 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.56 112.04 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.3 m -112.45 166.69 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.94 140.46 45.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 45.5 ttm -95.68 99.19 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.627 ' OD1' HG21 ' A' ' 70' ' ' VAL . 31.3 t30 -86.39 96.31 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.4 t -94.87 103.94 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.455 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -143.52 150.25 38.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.7 t70 40.78 49.46 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 47.87 40.75 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.6 m -133.44 117.07 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 135' ' ' CYS . 78.7 t -84.66 112.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.1 m -121.52 131.85 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.92 94.81 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.9 mm -92.44 134.0 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -55.65 165.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -71.37 -49.15 45.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -82.93 -68.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.3 156.91 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -32.19 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.54 15.34 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 131' ' ' VAL . 7.1 tp10 -73.36 -36.81 66.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.3 p 35.63 50.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 82.2 mt -34.67 -47.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.4 t -136.42 144.72 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -128.01 98.49 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 120' ' ' VAL . 7.7 t -116.56 140.43 49.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -114.48 128.58 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.0 -35.56 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -58.03 -38.11 75.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -88.54 -10.71 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.88 113.98 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.9 p -77.76 -57.28 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.825 ' HB3' HG12 ' A' ' 87' ' ' VAL . 4.0 t80 -152.8 149.61 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.45 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.1 ptt? -137.98 151.16 47.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.8 -169.11 29.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.537 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.83 144.5 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -68.29 -173.47 7.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -28.72 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -115.5 122.54 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 150' ' ' HIS . 32.9 m -44.23 -40.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.525 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 71.0 m80 -44.05 -41.65 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 54.5 p -82.25 128.91 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -134.71 113.9 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' A' ' 167' ' ' VAL . . . -126.29 166.14 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -151.13 148.27 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.421 HG21 ' O ' ' A' ' 86' ' ' PRO . 76.6 mt -98.47 126.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -128.72 167.79 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.98 141.82 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.441 ' C ' ' OE1' ' A' ' 164' ' ' GLU . 2.7 m-85 -134.4 127.7 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 164' ' ' GLU . 1.6 mp0 -114.09 151.05 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 53.3 t -113.45 123.67 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.515 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 96.6 m-70 -118.68 114.46 22.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.52 HG21 ' HA ' ' A' ' 96' ' ' ILE . 21.4 t -91.39 147.75 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -148.48 127.43 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.525 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 31.5 t-105 -86.16 132.71 33.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.462 ' SG ' HG21 ' A' ' 177' ' ' VAL . 54.7 m -107.38 156.28 19.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 26.5 mt-10 -143.37 126.98 9.2 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.74 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.69 -50.69 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.745 -1.773 . . . . 0.0 112.338 -0.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -118.85 173.35 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -96.0 33.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.33 -51.54 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -72.16 -39.66 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.462 HG21 ' SG ' ' A' ' 170' ' ' CYS . 75.7 t -65.47 -61.64 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.6 t -55.91 -28.33 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.36 -50.65 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.27 -53.45 28.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.39 -37.73 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.485 ' CG ' ' CE2' ' A' ' 26' ' ' TYR . 11.7 tt0 -61.74 -58.92 6.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.11 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -51.57 -42.3 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 HG11 ' A' ' 149' ' ' VAL . 21.1 mt -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.1 p -40.97 -42.48 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.82 -50.61 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.7 mmt -48.03 -33.84 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -78.54 -26.21 45.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -64.25 -62.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -126.65 -39.85 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.0 -174.35 21.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 182' ' ' GLN . 3.1 t80 -119.65 102.47 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -87.29 169.77 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.876 HG23 ' HB2' ' A' ' 116' ' ' ALA . 7.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.768 0.318 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -109.16 123.2 48.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.93 118.72 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -112.29 157.15 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -101.11 116.14 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.19 165.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -105.74 155.14 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -106.54 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.5 mp -66.67 -50.59 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 155.2 -178.53 31.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.8 ttp -100.76 141.68 33.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -145.27 122.87 6.32 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.8 136.38 32.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.312 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -108.57 156.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.45 -25.7 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -124.4 149.19 60.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.95 28.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -140.35 176.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.99 136.75 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.598 ' CE ' HD22 ' A' ' 92' ' ' LEU . 3.8 mmt -68.41 -58.27 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -41.84 -40.78 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -68.51 -33.21 73.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.598 HD22 ' CE ' ' A' ' 89' ' ' MET . 4.7 tp -68.62 -57.77 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -53.88 -49.65 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -39.99 -53.64 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -61.0 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.404 ' HA ' HG21 ' A' ' 167' ' ' VAL . 61.1 mt -53.76 -57.59 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.05 -32.83 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.2 -52.67 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.86 -38.97 69.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.1 mmt -46.92 -51.13 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.2 t -77.32 -20.16 55.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.9 t -66.75 -52.72 41.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.8 m -125.88 165.83 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 4.9 m -85.19 169.25 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.48 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.0 tttm -64.07 -35.92 82.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.59 -37.03 65.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.72 -36.5 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 9.4 m0 -57.18 115.57 10.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.559 0.695 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.35 30.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.9 p -64.33 119.29 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.9 m -127.71 177.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -132.26 145.01 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 29.0 tpp -96.81 102.48 14.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -87.59 96.98 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 65.3 t -101.4 100.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.876 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -141.69 140.99 33.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t0 47.65 45.86 17.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.08 41.05 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -129.31 123.95 33.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -100.92 96.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 m -114.59 117.23 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.616 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 56.1 t -85.68 96.4 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.8 mm -90.23 139.17 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.6 t -69.69 147.34 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.35 -37.51 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -71.3 -47.69 55.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -118.36 138.72 52.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.83 -37.91 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.85 19.68 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' VAL . 5.4 tp10 -81.8 -30.45 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 131' ' ' VAL . 11.8 p 33.35 50.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -35.92 -53.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.46 133.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -119.11 103.6 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.3 t -116.39 149.25 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 21.6 mtm180 -127.63 116.11 19.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 136' ' ' ARG . 43.3 t -36.31 -41.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -45.72 -47.91 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -80.1 -34.73 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.6 tt -40.55 130.08 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.0 p -98.16 -56.5 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 143' ' ' MET . 11.4 t80 -148.95 155.39 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.43 ' HE1' ' HA ' ' A' ' 182' ' ' GLN . 17.0 ptt? -151.75 146.0 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -162.23 -167.49 22.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 11.6 m -119.18 160.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.61 -171.15 43.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 148' ' ' ASP . 39.2 pttt -38.77 -46.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 147' ' ' LYS . 6.1 m-20 -104.09 127.72 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 150' ' ' HIS . 30.3 m -46.56 -46.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.503 ' N ' HG23 ' A' ' 149' ' ' VAL . 51.4 m80 -38.37 -45.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 52.1 p -77.09 135.73 38.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -139.48 122.66 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -134.83 153.95 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -140.9 148.19 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 70.2 mt -100.24 136.41 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.4 ptm -140.05 153.25 46.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.14 133.51 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 66.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.97 158.29 44.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -117.58 149.27 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.45 106.4 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -91.9 113.0 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.404 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.3 t -90.5 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.616 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 89.1 m-85 -152.5 140.02 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -93.02 139.38 30.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.58 ' SG ' HG21 ' A' ' 177' ' ' VAL . 77.5 m -122.0 149.05 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 2.3 mp0 -137.74 132.62 17.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.661 0.743 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.72 -50.45 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.358 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -123.69 166.73 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.29 39.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -78.62 -50.19 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -74.17 -35.73 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.58 HG21 ' SG ' ' A' ' 170' ' ' CYS . 53.8 t -63.36 -59.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.3 m -59.83 -18.64 45.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -44.78 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.04 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 177' ' ' VAL . 7.1 p -60.69 -48.58 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 6.3 pt20 -66.71 -21.33 66.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.85 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -80.4 -37.02 32.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' MET . 40.0 mt -61.28 -56.66 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 83.1 p -37.12 -41.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -55.39 -46.64 76.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' LEU . 13.1 mmt -52.61 -22.49 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.02 -40.22 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -53.74 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -113.17 -46.24 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.82 -159.52 13.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 25.6 t80 -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -93.79 162.9 13.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.914 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.629 HG23 ' HB2' ' A' ' 116' ' ' ALA . 8.5 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 16.2 mt-30 -105.21 122.25 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.07 110.91 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 94.3 m-85 -105.49 154.89 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 119.74 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -149.75 176.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -115.49 153.75 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -107.08 100.08 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.9 mp -62.82 -44.83 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.96 171.85 17.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.451 ' HG2' ' CG ' ' A' ' 164' ' ' GLU . 8.6 ttp -89.23 119.24 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' C ' ' OE2' ' A' ' 164' ' ' GLU . 0.7 OUTLIER -123.99 118.35 26.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.46 56.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.53 166.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.46 -33.06 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -122.0 149.51 54.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -23.21 31.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.604 HG12 ' CB ' ' A' ' 142' ' ' PHE . 21.4 m -136.81 167.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.03 130.59 3.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.69 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -47.74 -47.32 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.9 m -62.15 -41.31 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -65.57 -44.03 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' SER . 1.9 m-80 -63.89 -53.7 46.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' ASN . 8.1 t -35.75 -47.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -56.13 -49.97 72.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.437 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 64.8 mt -47.21 -55.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 101' ' ' THR . 26.2 mt-10 -59.81 -37.9 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.23 -54.74 41.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.96 -38.1 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.2 mtt -52.85 -48.04 67.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 102' ' ' SER . 12.4 t -77.79 -45.43 24.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.515 ' N ' HG23 ' A' ' 101' ' ' THR . 5.2 t -47.12 -46.72 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 99.8 p -121.83 -176.28 3.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.412 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 3.2 p -107.03 158.35 17.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 37.4 tttm -58.7 -18.48 31.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -90.34 -38.42 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.69 -33.69 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 2.4 m0 -62.2 114.63 12.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.525 0.679 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.3 50.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -71.24 107.23 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.0 m -114.11 177.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -131.86 141.58 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.564 ' HG2' HG23 ' A' ' 115' ' ' VAL . 27.7 ttm -93.47 103.8 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -89.76 97.1 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.564 HG23 ' HG2' ' A' ' 113' ' ' MET . 98.5 t -101.63 106.69 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.6 130.27 15.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.3 t0 59.1 43.45 17.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.604 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.05 41.79 26.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 35.0 m -131.07 116.62 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' CYS . 73.0 t -91.04 97.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.702 ' CG2' HG23 ' A' ' 131' ' ' VAL . 27.0 m -116.4 115.85 26.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.59 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 94.2 t -82.61 104.57 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 131' ' ' VAL . 14.9 mm -98.33 140.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -65.42 153.96 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.41 -46.16 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -76.42 -44.65 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.55 135.84 46.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -93.64 -32.63 14.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -94.54 40.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 131' ' ' VAL . 11.6 tp10 -101.61 -30.98 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.702 HG23 ' CG2' ' A' ' 121' ' ' THR . 15.0 p 32.15 49.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' VAL . 78.3 mt -35.82 -47.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 79.3 t -132.81 137.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.92 101.98 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 120' ' ' VAL . 11.5 t -125.17 145.25 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.36 123.15 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 85.1 t -38.77 -40.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -45.7 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 140' ' ' LEU . 22.4 m-85 -78.98 -37.0 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' 140' ' ' LEU . 7.4 tt -36.41 109.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 76.2 p -77.26 -57.91 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.604 ' CB ' HG12 ' A' ' 87' ' ' VAL . 23.3 t80 -148.41 143.79 27.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -139.78 148.58 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -165.24 -156.25 9.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.43 161.93 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.437 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -91.12 -170.15 42.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -46.56 -39.88 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 149' ' ' VAL . 8.3 t0 -108.96 114.91 29.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 150' ' ' HIS . 32.6 m -36.92 -39.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 74.2 m80 -44.7 -47.83 10.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.0 p -77.33 121.53 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -123.7 116.77 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.459 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -123.56 171.58 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 14.1 p90 -162.51 140.3 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 84.5 mt -95.07 130.25 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -124.87 168.37 13.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -119.58 125.17 48.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.883 0.373 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -134.47 124.45 25.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLU . . . . . 0.451 ' CG ' ' HG2' ' A' ' 80' ' ' MET . 21.0 tp10 -111.21 151.64 28.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.9 t -114.29 126.37 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -114.99 118.15 32.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 96' ' ' ILE . 28.0 t -94.09 140.36 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.59 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 96.0 m-85 -141.31 128.58 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -81.95 138.62 34.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 65.2 m -124.53 149.52 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.7 mm-40 -144.08 134.85 12.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.2 Cg_endo -69.73 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.39 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.04 170.74 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.7 30.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -79.28 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.46 -21.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.15 -50.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 13.2 m -57.32 -37.93 73.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -39.57 67.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . . . -55.29 -50.99 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.57 -36.01 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 31.7 tt0 -53.51 -49.5 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.52 -46.68 38.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -57.18 -43.65 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.539 HD13 ' HB ' ' A' ' 149' ' ' VAL . 26.7 mt -72.62 -49.82 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LEU . 41.9 m -34.22 -49.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -49.3 76.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.7 mmt -46.35 -39.75 10.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.556 ' HG2' HG23 ' A' ' 145' ' ' VAL . 96.5 mt-30 -69.98 -38.43 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -58.94 -69.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -111.76 -47.92 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -152.01 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 59.4 t80 -138.0 118.41 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -97.16 130.84 44.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.749 0.309 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -115.91 121.35 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -102.52 117.38 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.52 146.49 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -88.02 117.36 26.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 170' ' ' CYS . 31.4 m -151.6 174.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -111.43 162.91 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -123.99 103.26 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.565 HD13 HG12 ' A' ' 167' ' ' VAL . 7.3 mp -67.04 -50.66 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 151.51 176.79 24.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 17.8 ttp -83.8 126.47 32.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -132.14 113.2 14.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.75 54.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.472 ' HB ' ' CG2' ' A' ' 91' ' ' THR . 14.3 m -115.33 163.01 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.75 -38.38 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.39 150.32 51.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -27.39 26.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 142' ' ' PHE . 34.7 m -130.03 172.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.08 142.68 9.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 88.1 mmm -77.37 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -38.12 -46.39 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 83' ' ' VAL . 94.4 m -66.64 -45.26 79.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.22 -56.43 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.512 ' HA ' HD12 ' A' ' 96' ' ' ILE . 52.0 m-20 -53.66 -44.41 69.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.6 t -47.52 -48.87 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.69 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.619 ' HA ' HG21 ' A' ' 167' ' ' VAL . 82.0 mt -44.22 -53.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 101' ' ' THR . 10.6 mm-40 -60.76 -47.35 86.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -44.83 -43.34 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 81' ' ' LEU . 25.9 mt -82.42 -48.73 10.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 mtt -43.63 -41.62 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 97' ' ' GLU . 10.1 t -80.14 -29.26 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -68.16 -50.55 53.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 p -118.59 166.06 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.447 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 41.7 m -90.95 162.58 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -56.53 -37.39 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.47 -45.5 30.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.3 -41.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.4 m0 -55.39 114.91 8.04 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.623 ' O ' HG13 ' A' ' 111' ' ' VAL . 54.0 Cg_endo -69.7 116.38 4.53 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 m -48.43 109.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 109' ' ' PRO . 31.1 m -111.86 170.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 125' ' ' GLU . 97.2 m-20 -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.6 tpp -85.41 104.71 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.55 97.75 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 76.8 t -101.84 121.68 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.81 144.44 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.0 t70 43.22 43.87 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.597 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 58.34 40.47 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.5 m -132.66 113.89 13.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -89.61 106.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.641 ' CG2' HG23 ' A' ' 131' ' ' VAL . 18.4 m -120.2 121.0 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 96.8 t -84.28 100.38 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 131' ' ' VAL . 32.8 mm -98.44 136.66 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.3 t -51.54 154.49 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.454 ' HA ' ' ND2' ' A' ' 112' ' ' ASN . 9.1 tt0 -51.96 -48.64 64.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 12.0 tptm -100.92 -68.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 86.4 m-20 -49.55 118.15 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -87.52 -32.7 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.13 41.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 131' ' ' VAL . 6.5 tp10 -104.45 -29.63 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.641 HG23 ' CG2' ' A' ' 121' ' ' THR . 8.3 p 28.81 46.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.9 mt -34.04 -47.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.9 t -138.22 134.99 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -119.09 107.15 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.4 t -122.03 143.87 49.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 57.4 mtp85 -121.02 122.11 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 136' ' ' ARG . 87.6 t -36.21 -51.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -44.65 -45.75 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.05 -38.63 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 141' ' ' SER . 6.0 tt -46.96 134.98 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.475 ' N ' HD23 ' A' ' 140' ' ' LEU . 58.1 p -106.01 -45.23 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.615 ' HB2' HG12 ' A' ' 87' ' ' VAL . 81.3 t80 -155.91 160.75 40.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.433 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 8.9 ptt? -160.9 151.32 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -163.07 -172.53 30.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.556 HG23 ' HG2' ' A' ' 22' ' ' GLN . 22.5 m -115.95 152.4 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.418 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -78.44 -175.8 46.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -26.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.88 119.16 31.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.539 ' HB ' HD13 ' A' ' 18' ' ' LEU . 29.2 m -37.89 -41.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.451 ' N ' HG23 ' A' ' 149' ' ' VAL . 71.9 m80 -43.18 -46.68 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.414 ' CG2' ' CZ3' ' A' ' 169' ' ' TRP . 52.2 p -80.16 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.52 112.85 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -119.38 157.43 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 7.3 p90 -145.84 143.98 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.499 HD12 ' HD2' ' A' ' 142' ' ' PHE . 54.6 mt -97.22 133.28 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 11.3 ptm -136.89 166.72 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -108.32 128.17 54.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.412 ' HA ' ' NE ' ' A' ' 162' ' ' ARG . 12.5 mmp_? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -126.03 115.97 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -109.22 156.64 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.32 117.26 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.577 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 94.0 m-70 -100.46 120.81 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.619 HG21 ' HA ' ' A' ' 96' ' ' ILE . 72.0 t -92.66 147.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 82.9 m-85 -150.05 134.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.414 ' CZ3' ' CG2' ' A' ' 151' ' ' THR . 44.7 t-105 -89.9 124.86 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' CYS . . . . . 0.472 ' HA ' HG12 ' A' ' 75' ' ' VAL . 97.2 m -109.18 155.07 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 37.9 mt-10 -148.21 136.7 11.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.77 -47.6 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.83 157.0 36.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.36 42.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.57 -55.66 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.75 -39.06 92.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 181' ' ' VAL . 69.8 t -67.52 -52.97 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 57.5 p -60.33 -32.75 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.16 -49.19 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.9 -57.32 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 177' ' ' VAL . 8.5 p -55.17 -39.96 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 38.9 tt0 -56.92 -57.96 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -39.01 -48.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -43.47 -42.85 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 175' ' ' ALA . 18.4 mt -69.8 -53.81 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -37.85 -45.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -60.92 -44.83 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' LEU . 20.2 mtt -55.37 -36.47 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.34 -49.36 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.58 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -129.03 -32.42 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.08 -163.43 12.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 50.2 t80 -129.24 95.15 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.89 152.6 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.412 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 11.0 t-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 116' ' ' ALA . 2.5 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -96.78 117.97 32.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -109.71 117.97 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.74 151.56 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 74' ' ' ARG . 0.7 OUTLIER -97.39 123.82 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -152.58 179.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -118.53 155.59 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -109.21 111.4 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.595 ' HA3' HD22 ' A' ' 99' ' ' LEU . . . 168.34 176.45 38.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.529 ' HE1' ' N ' ' A' ' 165' ' ' CYS . 2.8 tpt -98.29 104.16 16.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.612 HD21 ' ND2' ' A' ' 98' ' ' ASN . 0.5 OUTLIER -113.78 115.12 46.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.645 0.735 . . . . 0.0 110.936 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 144.04 53.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 91' ' ' THR . 0.3 OUTLIER -108.47 175.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -102.59 -28.39 12.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' H ' HG21 ' A' ' 91' ' ' THR . 81.7 mtt180 -124.26 150.19 63.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.38 29.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.728 HG12 ' HB2' ' A' ' 142' ' ' PHE . 15.1 m -138.07 170.58 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.31 143.8 10.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.491 ' HE3' ' HA3' ' A' ' 144' ' ' GLY . 4.3 mmt -80.14 -57.44 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -38.94 -36.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.46 HG21 ' H ' ' A' ' 85' ' ' ARG . 86.1 m -80.11 -48.93 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -58.14 -54.85 42.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' SER . 2.6 m-80 -49.41 -52.83 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 33.3 t -36.33 -46.12 0.51 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -59.63 -53.28 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.566 ' HA ' HG21 ' A' ' 167' ' ' VAL . 97.4 mt -45.08 -58.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.77 -46.62 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.665 ' O ' HG22 ' A' ' 101' ' ' THR . 8.2 t-20 -44.7 -68.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.595 HD22 ' HA3' ' A' ' 79' ' ' GLY . 12.3 mt -59.31 -40.83 87.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -49.52 -40.98 39.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 98' ' ' ASN . 13.6 t -86.94 -17.35 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 t -76.2 -44.26 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.1 m -126.09 -176.36 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.9 m -108.7 165.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 33.8 tttm -57.19 -43.76 83.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.25 -40.12 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -48.0 -38.0 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.43 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 6.5 m0 -59.55 119.72 42.53 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.54 0.686 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -63.78 118.12 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.64 173.63 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -129.7 137.71 50.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.409 ' HG2' HG23 ' A' ' 115' ' ' VAL . 40.7 ttm -88.27 101.01 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.402 ' OD1' HG21 ' A' ' 70' ' ' VAL . 27.9 t30 -82.73 95.92 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.409 HG23 ' HG2' ' A' ' 113' ' ' MET . 93.5 t -98.65 100.42 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.562 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -144.86 125.54 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 62.4 49.5 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.554 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 50.93 37.68 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -127.62 114.85 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -93.45 102.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.559 ' CG2' HG23 ' A' ' 131' ' ' VAL . 62.8 m -117.95 126.09 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.515 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 91.1 t -88.53 98.13 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 131' ' ' VAL . 15.4 mm -94.65 131.9 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -60.25 133.75 56.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.99 -46.08 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -69.26 -70.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -86.28 136.6 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.43 -28.19 17.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.81 40.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.4 tp10 -105.33 -30.92 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.559 HG23 ' CG2' ' A' ' 121' ' ' THR . 14.8 p 32.55 48.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 47.4 mt -33.23 -46.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 71.3 t -141.45 134.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -118.48 101.14 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.7 t -115.54 147.75 40.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -124.05 127.81 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 140' ' ' LEU . 89.5 t -43.75 -51.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -44.16 -43.13 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.27 -22.14 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 137' ' ' VAL . 1.7 tt -55.09 126.18 23.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 56.3 p -99.48 -37.88 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.728 ' HB2' HG12 ' A' ' 87' ' ' VAL . 44.1 t80 -161.76 156.51 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 1.5 ptt? -155.43 147.52 23.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLY . . . . . 0.491 ' HA3' ' HE3' ' A' ' 89' ' ' MET . . . -165.43 -172.66 33.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.0 m -118.67 160.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -92.51 -174.38 41.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 146' ' ' GLY . 52.7 mttm -35.35 -46.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -105.5 127.14 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 m -53.05 -20.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 69.1 m80 -58.81 -36.77 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.566 HG22 ' CE3' ' A' ' 169' ' ' TRP . 72.3 p -91.78 129.83 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -129.57 113.96 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -119.9 146.55 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -132.73 138.59 47.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.467 HD12 ' HD2' ' A' ' 142' ' ' PHE . 87.5 mt -95.86 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.3 ptm -116.54 157.26 25.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -105.22 113.15 26.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -133.64 118.39 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLU . . . . . 0.433 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 15.5 mm-40 -116.79 143.21 45.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.529 ' N ' ' HE1' ' A' ' 80' ' ' MET . 2.4 t -122.82 115.92 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 168' ' ' PHE . 31.3 m80 -106.47 114.32 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 96' ' ' ILE . 23.5 t -87.5 152.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 83.6 m-85 -154.01 133.47 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.566 ' CE3' HG22 ' A' ' 151' ' ' THR . 44.0 t-105 -85.83 142.65 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.26 153.09 46.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.51 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 25.2 mt-10 -139.73 132.07 15.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.4 Cg_endo -69.72 -48.29 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.361 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -125.08 167.09 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -90.13 45.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.659 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -86.82 -49.04 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.58 -38.5 77.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.24 -56.19 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.7 p -58.3 -26.42 63.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.58 -45.58 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.5 -54.67 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.9 p -60.52 -24.99 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.553 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 32.5 tt0 -75.67 -42.78 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.14 83.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -52.56 -38.93 60.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.551 HD13 ' HB ' ' A' ' 149' ' ' VAL . 13.3 mt -77.82 -37.33 48.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m -49.75 -44.39 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -44.07 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -50.43 -19.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.429 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 79.6 mt-30 -89.77 -40.66 12.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -44.55 -71.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -117.83 -36.89 3.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -165.0 13.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 182' ' ' GLN . 6.0 t80 -119.38 103.54 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -86.59 156.74 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.865 -179.891 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 116' ' ' ALA . 5.5 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.796 0.331 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.469 ' OE1' ' HB1' ' A' ' 180' ' ' ALA . 28.3 mt-30 -103.37 126.21 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -120.26 111.12 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -110.18 157.34 19.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -97.92 128.58 44.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.02 -176.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -121.57 159.56 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -114.66 108.76 17.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.6 mp -73.68 -43.45 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.91 -175.5 29.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -109.43 113.57 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.457 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -105.5 116.72 59.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.61 19.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.43 161.55 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -101.23 -23.78 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -104.48 130.18 23.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.31 37.59 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 142' ' ' PHE . 25.0 m -146.14 -175.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.28 143.82 10.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.1 mmt -86.03 -9.54 56.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.69 -45.3 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.2 m -69.58 -30.65 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -78.14 -47.41 18.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -65.95 -30.06 70.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -66.83 -33.23 75.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.83 -51.39 41.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.1 mt -42.66 -66.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.8 -36.21 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.412 ' O ' HG22 ' A' ' 101' ' ' THR . 15.6 t-20 -55.46 -47.23 76.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.1 mt -79.38 -37.31 37.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -47.53 -36.51 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 98' ' ' ASN . 1.5 t -86.83 -19.87 28.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -72.31 -43.16 64.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 m -133.97 155.52 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 9.8 m -86.66 164.18 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 108' ' ' TRP . 40.3 tttm -54.84 -33.58 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.46 -37.41 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.68 -36.62 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.47 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.8 m0 -62.24 113.85 9.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.705 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.74 127.82 15.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -61.48 110.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -112.93 171.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -121.33 135.06 55.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.4 ttm -89.91 105.34 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -90.69 97.31 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.3 t -101.54 105.36 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.748 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -145.94 143.25 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 t70 48.75 39.32 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.4 45.1 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.1 m -136.84 115.71 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.94 98.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.4 m -117.59 113.64 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.468 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 24.6 t -81.87 105.06 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.25 143.35 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -74.3 143.31 45.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.69 -56.84 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -51.02 -70.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -99.66 148.52 24.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -95.63 -15.98 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -103.61 42.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -108.29 -31.66 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.4 p 38.15 49.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -34.66 -39.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.1 t -146.34 130.18 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -120.07 102.84 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.7 t -122.71 147.63 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -118.91 133.86 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.448 HG11 ' HA ' ' A' ' 185' ' ' CYS . 84.8 t -53.54 -35.91 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -59.14 -36.1 74.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.15 -23.77 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.38 131.64 42.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.0 t -96.37 -69.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.697 ' CB ' HG12 ' A' ' 87' ' ' VAL . 60.2 t80 -137.74 148.1 45.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -148.52 158.06 43.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.85 -168.76 34.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.429 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -116.72 151.77 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -82.68 -170.18 45.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -44.74 -38.8 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -106.22 127.31 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.614 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 20.1 m -52.37 -17.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 47.1 m80 -70.12 -31.61 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 43.5 p -87.23 123.88 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 181' ' ' VAL . 8.7 t80 -128.02 119.16 24.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -126.32 164.93 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.7 p90 -158.95 140.27 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 59.3 mt -95.48 140.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 9.7 ptm -133.61 166.21 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -111.69 116.79 31.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.904 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -138.31 122.33 17.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -107.84 141.92 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 8.1 t -110.24 107.88 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -99.04 130.72 45.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 168' ' ' PHE . 23.8 t -108.01 154.73 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.468 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 92.2 m-85 -154.18 139.16 17.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -96.2 126.36 41.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 3.8 m -114.35 147.6 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.555 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 19.0 mt-10 -139.97 140.66 24.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.71 -45.96 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.366 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.23 155.52 33.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 149' ' ' VAL . . . -83.38 35.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.0 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.05 -20.93 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 181' ' ' VAL . 73.8 t -92.3 -49.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 22.9 t -67.38 -23.39 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -83.08 -40.85 19.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' ALA . . . . . 0.469 ' HB1' ' OE1' ' A' ' 71' ' ' GLN . . . -69.7 -45.8 67.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 152' ' ' PHE . 12.2 p -60.96 -43.85 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 8.0 pt20 -74.07 -14.2 60.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -78.88 -29.52 44.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -70.36 -39.05 74.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 185' ' ' CYS . . . . . 0.448 ' HA ' HG11 ' A' ' 137' ' ' VAL . 58.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.842 0.353 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 149' ' ' VAL . 20.0 mt -68.76 -33.17 73.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -50.92 -59.02 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -48.68 -31.93 7.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 mmt -75.23 -33.73 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.451 ' HG2' ' CG2' ' A' ' 145' ' ' VAL . 9.0 mt-30 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -52.59 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.11 -28.0 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.4 -143.47 16.48 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 51.1 t80 -150.06 106.88 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.87 157.3 28.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.878 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.942 HG23 ' HB2' ' A' ' 116' ' ' ALA . 13.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.737 0.304 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -109.64 131.46 55.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.17 113.27 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -107.58 154.14 21.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 75' ' ' VAL . 1.4 tmm_? -98.78 127.49 44.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 74' ' ' ARG . 35.7 m -160.52 168.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -106.8 161.78 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -114.54 109.78 18.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mp -69.84 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' HD13 ' A' ' 99' ' ' LEU . . . 170.02 177.45 40.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.545 ' HE1' ' N ' ' A' ' 165' ' ' CYS . 3.5 tpt -97.26 102.89 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -111.21 113.83 53.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.949 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 149.06 66.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.19 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -102.03 -25.06 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -117.88 141.57 29.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.18 29.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.74 HG12 ' HB2' ' A' ' 142' ' ' PHE . 17.2 m -137.49 175.61 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.91 153.12 12.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.18 -34.8 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.68 -29.01 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.2 m -85.58 -47.07 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 153' ' ' ALA . 9.1 tt -61.63 -46.5 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -61.09 -33.41 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -65.44 -41.36 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -63.12 -35.11 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.459 ' HA ' HG21 ' A' ' 167' ' ' VAL . 21.7 mt -59.53 -59.34 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -56.88 -40.78 76.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -50.49 -47.13 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 102' ' ' SER . 98.8 mt -79.13 -47.28 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.7 mmt -40.64 -41.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -84.83 -27.15 26.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.3 t -59.2 -47.31 85.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.5 p -133.14 161.17 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -78.08 159.27 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.516 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.1 tttt -52.93 -33.61 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -77.54 -42.25 36.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -44.71 -33.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.516 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 6.2 m0 -61.49 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.599 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.5 Cg_endo -69.67 120.59 7.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -53.48 119.08 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 109' ' ' PRO . 21.8 m -120.2 -175.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -136.4 136.59 39.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.0 ttm -92.32 100.21 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -87.26 96.64 10.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.9 t -96.91 100.45 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.942 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -140.53 133.97 29.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 t70 52.79 45.58 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.495 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 54.07 44.08 29.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.7 m -132.78 114.46 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.7 t -89.59 106.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.9 m -121.57 125.68 47.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 77.5 t -88.0 102.14 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.4 mm -96.75 136.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -67.77 146.64 53.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.31 -42.88 78.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -68.65 -54.06 18.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -106.36 138.02 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -91.44 -23.43 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.54 40.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -100.05 -33.67 10.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.1 p 39.08 46.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 131' ' ' VAL . 38.8 mt -34.04 -51.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.38 139.03 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -124.81 103.33 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 8.4 t -117.6 151.06 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -124.01 127.13 47.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 79.1 t -43.29 -41.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.56 -41.17 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -79.92 -18.14 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.16 124.26 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.8 t -97.04 -46.11 6.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.74 ' HB2' HG12 ' A' ' 87' ' ' VAL . 20.1 t80 -157.58 158.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' MET . . . . . 0.454 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.8 OUTLIER -156.86 157.37 34.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.66 -177.98 44.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 22' ' ' GLN . 8.2 m -108.31 166.51 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -103.89 -162.8 24.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 146' ' ' GLY . 25.1 mmtp -37.35 -59.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -98.84 122.98 42.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' VAL . . . . . 0.489 ' HB ' HD13 ' A' ' 18' ' ' LEU . 35.1 m -43.91 -29.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' HIS . . . . . 0.481 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 59.3 m80 -50.96 -41.37 59.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 73.1 p -77.2 132.76 38.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -133.09 113.92 13.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ALA . . . . . 0.669 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -123.53 147.86 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 7.2 p90 -135.69 146.12 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.25 114.22 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -110.4 166.65 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -116.57 138.09 51.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -129.8 121.65 27.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLU . . . . . 0.499 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 5.8 mm-40 -115.95 142.93 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' CYS . . . . . 0.545 ' N ' ' HE1' ' A' ' 80' ' ' MET . 10.7 t -122.68 123.35 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 168' ' ' PHE . 37.6 m80 -115.45 113.92 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.0 t -89.55 138.54 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 61.6 m-85 -138.74 144.82 39.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -96.07 133.71 39.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 82.6 m -115.91 163.41 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 20.5 mt-10 -153.5 133.63 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.72 -47.72 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.363 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -121.16 169.9 10.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.51 29.67 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -80.86 -37.65 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.2 -41.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 28.9 p -66.1 -30.12 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.53 -31.89 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -74.66 -34.36 62.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.02 -34.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.424 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 36.1 tt0 -66.56 -37.19 84.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -54.28 -51.42 64.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.495 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -46.02 -48.37 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -95.12 109.27 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -102.3 142.25 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.35 130.15 1.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -101.66 151.97 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -67.14 -52.42 41.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.22 -171.57 22.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -171.7 146.02 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.26 -61.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.4 155.58 40.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 p -99.45 140.09 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -82.15 152.36 67.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.539 0.685 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -14.46 35.93 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' OE1' ' HB3' ' A' ' 175' ' ' ALA . 18.9 mm-40 -85.61 -37.77 19.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HA ' HD12 ' A' ' 18' ' ' LEU . 23.8 mm-40 -68.26 -51.43 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -43.46 -50.51 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -61.65 -32.41 72.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.547 HD13 HG11 ' A' ' 149' ' ' VAL . 13.6 mt -74.21 -35.61 63.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -52.6 -46.41 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -52.89 -47.88 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -61.77 -23.8 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.61 -29.75 27.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.01 -74.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.43 -45.48 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.3 -156.08 16.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.67 118.35 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -102.17 132.8 47.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -80.87 127.1 75.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -50.8 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' PHE . 7.5 m -38.91 -61.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' THR . 12.0 t80 -34.49 -48.42 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -46.65 89.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' THR . 69.0 m-85 -58.08 -48.41 80.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -49.27 -32.28 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.27 -70.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -93.61 93.05 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.3 ttt -96.68 114.78 26.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -51.23 132.83 28.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -150.51 167.96 25.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p -70.32 140.6 52.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.41 74.88 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.37 4.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -40.94 -36.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m -68.09 123.44 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.01 -161.67 30.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.9 mt -105.71 44.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -130.62 111.65 12.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.85 41.79 1.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -166.91 157.03 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.56 143.39 7.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 82.4 p -128.22 122.22 31.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -147.25 165.61 29.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.54 125.49 0.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 t -135.21 178.41 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.0 t -164.48 157.49 17.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.22 179.19 47.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -156.63 106.74 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -90.95 142.05 28.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.73 141.9 14.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -164.12 123.96 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -88.45 164.48 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -150.71 -93.81 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 171.87 13.7 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.22 142.19 28.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.18 24.9 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -108.79 172.13 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.2 m -82.69 126.32 32.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.28 128.27 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -47.35 170.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 71' ' ' GLN . 1.3 p -148.99 156.69 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.484 ' N ' ' CG2' ' A' ' 70' ' ' VAL . 20.2 mt-30 -106.89 123.63 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -119.26 129.59 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -121.49 155.45 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 74' ' ' ARG . 3.5 tmt_? -95.92 121.82 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 35.0 m -157.8 164.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -101.07 163.1 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -116.59 100.21 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.9 mp -65.74 -43.07 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.53 -177.81 22.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 24.2 ttp -103.72 133.15 49.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.7 OUTLIER -124.04 120.09 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.504 ' N ' HD13 ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.8 141.86 46.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.51 172.56 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.21 -23.0 11.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -113.37 142.15 27.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.67 29.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.36 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.749 HG12 ' CB ' ' A' ' 142' ' ' PHE . 18.6 m -143.37 -176.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.97 121.22 3.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.09 -24.03 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.76 -22.71 46.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -85.27 -50.77 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 153' ' ' ALA . 8.7 tt -60.55 -54.16 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -53.39 -57.28 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -42.17 -47.27 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -56.33 -43.14 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.483 ' HA ' HG21 ' A' ' 167' ' ' VAL . 59.4 mt -51.12 -61.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.12 -32.47 47.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.423 ' O ' HG22 ' A' ' 101' ' ' THR . 8.0 t-20 -63.29 -52.77 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 167' ' ' VAL . 10.9 mt -70.09 -34.19 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.24 -47.48 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 98' ' ' ASN . 11.2 t -74.09 -24.93 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.9 t -61.53 -54.43 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -126.61 157.02 39.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.5 m -75.85 177.91 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -68.19 -36.31 79.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -81.4 -21.44 38.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -34.6 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.5 m0 -67.28 118.45 56.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.53 23.48 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.0 m -62.79 117.56 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.93 -177.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -135.44 133.85 39.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 7.9 ttm -86.35 109.08 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.36 98.28 11.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.47 105.49 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -146.71 147.53 31.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 t0 40.23 43.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.496 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.09 43.52 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.9 m -130.46 125.43 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.2 t -100.54 97.65 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 92.7 m -118.36 114.48 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.603 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 90.3 t -78.76 96.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.405 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 4.7 mm -91.77 134.79 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 t -51.21 161.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.58 -62.15 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 36.4 pttt -80.8 -50.34 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 82.0 m-20 -73.59 131.12 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.405 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 58.9 tt0 -102.57 -23.87 13.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -100.81 18.66 18.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.426 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 12.2 tp10 -78.92 -39.1 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.3 p 41.85 45.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' VAL . 62.1 mt -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.09 144.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -128.1 111.26 13.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.6 t -126.1 144.37 50.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -116.02 120.47 39.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 70.2 t -47.98 -47.52 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -49.87 -27.24 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -94.06 -31.45 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.5 tt -45.31 121.75 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.6 t -88.49 -58.48 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.749 ' CB ' HG12 ' A' ' 87' ' ' VAL . 16.7 t80 -138.85 153.01 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.588 ' HB3' HD21 ' A' ' 140' ' ' LEU . 1.2 ptt? -151.58 150.85 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.06 176.28 46.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.64 162.6 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.376 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -85.11 -175.88 50.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -44.53 -29.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.45 ' N ' ' HG2' ' A' ' 147' ' ' LYS . 11.8 m-20 -112.28 137.64 50.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.547 HG11 HD13 ' A' ' 18' ' ' LEU . 31.4 m -59.46 -36.46 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -53.45 -29.62 36.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 69.1 p -91.75 125.56 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -130.4 121.55 26.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.426 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -125.96 173.6 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.404 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 21.7 p90 -164.66 147.33 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 95.1 mt -100.97 132.45 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -128.74 157.87 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -103.96 130.54 51.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 164' ' ' GLU . 16.0 p -101.15 -52.45 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 167.03 156.53 9.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 58.9 53.18 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 48.87 42.13 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 -104.6 149.43 25.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -137.76 130.08 29.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.411 ' CD ' HG21 ' A' ' 158' ' ' THR . 93.7 mt-10 -118.22 139.68 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 25.6 t -114.65 111.29 21.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -105.01 141.07 37.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 96' ' ' ILE . 20.8 t -113.69 147.15 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.603 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 62.8 m-85 -145.76 139.29 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -91.17 134.01 34.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 177' ' ' VAL . 84.2 m -121.58 145.32 48.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.2 mm-40 -135.43 135.6 22.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.2 Cg_endo -69.79 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 -1.801 . . . . 0.0 112.331 0.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.19 176.57 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.22 26.29 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.402 ' HB3' ' OE1' ' A' ' 14' ' ' GLU . . . -76.64 -42.96 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.46 -20.04 62.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.491 HG21 ' SG ' ' A' ' 170' ' ' CYS . 53.4 t -91.06 -51.87 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 92.3 p -60.06 -14.19 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.74 -37.53 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.48 77.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 182' ' ' GLN . 11.1 p -74.71 -41.34 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.454 ' N ' HG13 ' A' ' 181' ' ' VAL . 6.4 tt0 -60.56 -47.53 85.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.12 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.496 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -65.38 -33.37 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m 56.8 43.41 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -125.51 135.09 51.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.46 143.32 8.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -161.69 164.75 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -134.11 163.42 29.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -127.59 53.21 0.8 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.8 m-20 -174.97 170.62 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.16 -55.41 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.19 131.02 50.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.61 149.4 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 12' ' ' THR . 1.2 p -67.99 152.12 96.66 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.66 24.17 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.695 2.264 . . . . 0.0 112.359 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.8 -40.8 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' LEU . 11.0 mt-10 -57.46 -49.31 76.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLU . 98.3 mtt180 -36.43 -64.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -43.16 -38.53 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' ' 175' ' ' ALA . 59.3 mt -75.59 -39.13 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -52.13 -38.89 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -70.12 -41.11 74.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mmt -55.21 -25.35 32.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -86.33 -37.32 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -55.73 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -114.81 -37.48 4.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 -175.67 19.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -126.23 91.67 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.64 161.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.665 HD22 HD22 ' A' ' 140' ' ' LEU . 25.1 t-20 -86.57 119.93 71.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -47.83 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.9 m -47.28 -46.38 24.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -44.62 79.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -60.09 -28.78 68.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -63.44 -36.15 82.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -122.01 70.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.61 -48.02 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -116.29 172.07 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttp -102.81 115.35 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -92.58 135.2 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -134.82 124.66 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -83.09 -47.47 11.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.77 146.28 19.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 108.3 2.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.634 2.222 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 t -148.6 122.83 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.3 t -147.8 148.73 31.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 46' ' ' ILE . . . 47.17 88.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.798 ' H ' HD12 ' A' ' 46' ' ' ILE . 5.3 mp -34.56 107.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER -166.34 111.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 37.13 -100.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -104.62 -54.09 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 50.55 92.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.8 p -151.44 131.71 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 t -174.09 143.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.8 123.2 4.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 m -93.28 173.63 7.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.5 t -82.06 137.53 35.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.38 104.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 p -156.08 123.3 5.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.7 t -70.52 -58.13 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.12 92.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.9 t -160.65 145.3 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.1 p -159.62 165.81 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -126.92 65.43 0.57 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.36 3.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.4 p -67.35 142.9 96.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.82 40.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.277 . . . . 0.0 112.32 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.98 160.96 25.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.1 m -88.89 124.31 34.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -126.19 124.33 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mt -100.6 166.98 10.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.537 HG21 ' OD1' ' A' ' 114' ' ' ASN . 3.0 p -129.36 139.41 51.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -108.74 120.0 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -108.17 110.05 21.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -103.39 163.14 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -106.71 110.19 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.32 168.29 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -106.08 168.38 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -121.86 111.72 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 167' ' ' VAL . 8.3 mp -70.29 -59.7 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.596 ' HA3' HD22 ' A' ' 99' ' ' LEU . . . 168.65 179.48 40.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.513 ' HE1' ' N ' ' A' ' 165' ' ' CYS . 3.0 tpt -100.07 104.53 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -112.09 114.11 51.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.82 137.0 34.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.641 2.228 . . . . 0.0 112.348 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 163' ' ' PHE . 0.6 OUTLIER -105.84 170.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -99.41 -26.41 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -124.54 144.29 45.76 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.662 0.744 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD3' ' CE2' ' A' ' 163' ' ' PHE . 53.9 Cg_endo -69.75 -19.52 36.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.676 HG12 ' HB2' ' A' ' 142' ' ' PHE . 15.6 m -138.58 172.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.03 144.58 10.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -81.85 -59.19 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -40.82 -29.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 59.4 m -83.09 -49.47 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -58.05 -44.81 87.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' SER . 3.1 m-80 -64.08 -56.95 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 4.0 t -36.15 -48.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.18 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.484 ' HA ' HG21 ' A' ' 167' ' ' VAL . 75.4 mt -49.15 -54.52 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -57.12 -42.23 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.497 ' O ' HG22 ' A' ' 101' ' ' THR . 11.3 t-20 -52.77 -62.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' HA3' ' A' ' 79' ' ' GLY . 10.5 mt -63.41 -32.57 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 mmt -53.0 -44.08 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 98' ' ' ASN . 5.1 t -80.89 -28.24 36.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -66.09 -52.57 47.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -116.97 148.4 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.5 m -80.38 157.72 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 108' ' ' TRP . 66.3 tttt -49.21 -40.28 32.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.24 -37.97 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -46.41 -36.81 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.493 ' CZ2' ' HA ' ' A' ' 105' ' ' LYS . 3.9 m0 -59.9 120.09 47.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 136.97 34.26 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.9 p -66.6 114.19 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.64 176.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -130.28 140.56 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 18.3 tpp -92.46 99.62 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.537 ' OD1' HG21 ' A' ' 70' ' ' VAL . 33.8 t30 -84.28 95.97 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.52 109.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.84 148.33 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 39.55 47.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.441 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 53.69 46.83 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.5 m -138.1 118.13 13.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 135' ' ' CYS . 92.1 t -95.95 99.85 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.581 ' CG2' HG23 ' A' ' 131' ' ' VAL . 12.4 m -115.5 121.03 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.409 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 90.1 t -83.34 97.22 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' A' ' 131' ' ' VAL . 16.0 mm -94.12 133.5 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -64.9 138.06 58.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -59.9 -38.91 83.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -74.29 -54.57 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -103.27 129.41 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -87.11 -28.82 22.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.18 33.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.479 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 35.5 tp10 -94.64 -39.88 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.1 p 43.78 49.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 131' ' ' VAL . 33.4 mt -36.75 -52.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.5 t -129.65 136.88 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -121.49 96.85 5.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 120' ' ' VAL . 53.8 t -117.13 141.12 48.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -118.57 123.73 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.454 HG21 ' HB1' ' A' ' 184' ' ' ALA . 60.7 t -38.49 -35.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.1 mtm-85 -57.8 -45.88 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -74.52 -25.82 59.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.665 HD22 HD22 ' A' ' 28' ' ' ASN . 6.6 tt -55.98 132.01 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.4 p -105.36 -48.78 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.676 ' HB2' HG12 ' A' ' 87' ' ' VAL . 18.0 t80 -146.17 153.96 41.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.418 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.8 ptp -148.03 154.28 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.69 -174.46 44.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 4.9 m -118.98 154.03 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.447 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -80.1 -167.81 36.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -25.55 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -112.86 124.17 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 26.9 m -55.21 -16.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 55.0 m80 -73.28 -27.5 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 29.4 p -92.74 122.4 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -121.87 113.99 20.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -125.07 157.25 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.435 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.8 p90 -146.17 144.39 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 60.3 mt -98.19 113.73 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -108.89 160.64 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -113.49 123.06 49.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.0 p -91.16 -40.92 11.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 157.74 -179.18 33.66 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 48.1 31.75 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 62.74 35.21 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.417 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 29.1 mmt-85 -95.03 158.72 15.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.476 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 7.7 m-85 -137.55 123.9 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.442 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 69.9 mt-10 -119.45 144.7 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.513 ' N ' ' HE1' ' A' ' 80' ' ' MET . 1.8 t -124.26 121.95 36.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 168' ' ' PHE . 35.5 m80 -111.82 117.52 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 78' ' ' LEU . 40.6 t -91.0 139.42 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 77.4 m-85 -139.13 136.89 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -91.83 137.03 32.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.54 161.77 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 39.7 mt-10 -150.45 137.67 11.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.75 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.34 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -118.76 175.74 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 149' ' ' VAL . . . -103.05 39.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.445 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -85.01 -51.85 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -64.83 -23.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.71 -42.72 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 89.2 p -68.49 -33.79 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.94 -38.4 37.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.3 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.57 -33.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -59.88 -27.98 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -73.87 -28.88 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 137' ' ' VAL . . . -62.36 -44.26 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m 58.1 42.36 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -50.74 112.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.34 141.08 7.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -112.02 174.89 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -117.67 -57.96 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 157.91 157.24 8.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 22.7 m-20 -162.74 123.13 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.04 -51.59 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.78 139.97 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.588 HG22 ' N ' ' A' ' 12' ' ' THR . 11.7 p -96.16 166.18 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.588 ' N ' HG22 ' A' ' 11' ' ' VAL . 4.1 p -94.06 149.65 37.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.56 0.695 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.54 21.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -92.87 -44.05 8.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 18' ' ' LEU . 37.5 mt-10 -63.15 -46.05 88.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -38.73 -48.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -66.15 -45.01 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.674 HD13 ' HB ' ' A' ' 149' ' ' VAL . 16.9 mt -58.38 -33.98 70.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -53.26 -33.86 54.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -59.47 -43.06 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 mmt -65.83 -11.65 48.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 86.5 mt-30 -106.54 -31.32 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -67.28 -74.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -111.52 -31.11 7.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.22 -173.78 26.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 47.0 t80 -134.86 108.13 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.07 163.45 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 55.8 t-20 -101.06 99.19 10.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.16 27.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.35 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m -52.67 -32.77 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.93 -52.11 18.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -83.53 37.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -74.46 -48.13 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -70.28 -30.66 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -90.86 55.9 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.403 ' H ' ' CD ' ' A' ' 36' ' ' GLN . 2.9 pm0 -80.81 170.52 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -103.19 112.89 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -152.65 128.65 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -95.73 109.26 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.2 t -45.61 -60.53 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.23 147.61 5.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -33.17 16.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.244 . . . . 0.0 112.331 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 t -112.36 112.3 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -83.46 -59.68 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.07 95.94 1.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.91 20.49 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.15 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.31 -59.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.82 90.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -76.32 66.22 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.25 -104.38 1.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 t -50.82 161.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 t -156.86 169.03 25.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.7 165.8 12.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.43 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -168.57 133.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -154.95 143.6 20.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.57 144.54 7.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -161.47 149.57 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -130.21 116.9 19.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.46 79.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -146.61 157.39 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.2 t -157.67 145.6 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -140.39 141.69 11.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 134.49 27.93 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -108.53 143.02 26.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.591 0.71 . . . . 0.0 111.13 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 131.63 21.54 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' THR . 14.7 pttp -143.12 159.94 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' LYS . 69.4 p -35.03 117.28 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -88.76 -7.99 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.613 ' H ' HD23 ' A' ' 69' ' ' LEU . 2.6 pt? -119.63 173.15 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.769 HG22 ' CB ' ' A' ' 116' ' ' ALA . 25.0 t -115.11 129.76 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -97.46 125.2 41.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -121.89 133.75 54.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.79 152.54 43.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.425 ' C ' ' HD3' ' A' ' 74' ' ' ARG . 3.8 tmt_? -98.29 110.3 22.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.9 m -142.81 176.13 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -110.23 168.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -124.37 116.44 22.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.2 mp -79.22 -45.72 19.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.82 168.88 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.0 ttp -86.62 136.34 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.335 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.58 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -131.79 122.19 18.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.664 0.745 . . . . 0.0 110.891 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.75 132.07 22.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.97 154.67 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.72 -25.12 21.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -117.94 143.37 32.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.717 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -21.49 33.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.43 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.57 10.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.2 mmt -80.67 -49.44 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -51.09 -46.65 61.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -59.16 -40.88 86.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.67 -57.58 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.477 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.7 OUTLIER -56.09 -47.52 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.8 t -42.2 -47.43 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.86 -50.93 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 93' ' ' ASN . 82.0 mt -46.31 -57.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -62.52 -55.76 24.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 81' ' ' LEU . 8.9 mt -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -49.3 -48.62 46.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 t -80.11 -12.85 59.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -76.3 -19.49 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.66 179.85 8.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 49.6 m -100.57 165.16 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -61.77 -40.8 96.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.34 -16.3 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.5 -19.76 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.449 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.0 m0 -74.04 121.24 84.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.627 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.9 Cg_endo -69.71 119.04 6.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -56.38 106.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 109' ' ' PRO . 12.3 m -105.98 -178.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -132.54 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.8 tpp -86.5 103.68 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.457 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 44.4 t30 -90.65 96.25 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.61 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.769 ' CB ' HG22 ' A' ' 70' ' ' VAL . . . -148.73 150.36 33.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.0 t0 42.71 49.94 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.02 44.12 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.616 HG23 ' HG3' ' A' ' 136' ' ' ARG . 17.0 m -137.42 116.12 12.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 48.3 t -87.14 106.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -117.82 120.56 38.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.06 93.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -88.77 138.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -69.34 140.97 54.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.88 -33.26 68.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -101.53 36.14 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -171.78 160.07 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -121.88 -34.25 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -102.55 15.42 29.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.418 ' C ' HG12 ' A' ' 131' ' ' VAL . 13.7 tp10 -69.51 -39.56 77.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.702 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.2 p 41.41 47.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.5 mt -34.19 -42.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.4 t -144.33 131.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.28 104.18 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 21.6 t -121.82 144.57 48.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.616 ' HG3' HG23 ' A' ' 119' ' ' THR . 35.6 mtt-85 -121.65 122.88 40.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.5 t -38.25 -45.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -74.93 -35.69 62.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 141' ' ' SER . 2.7 tt -47.95 136.16 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' HD23 ' A' ' 140' ' ' LEU . 95.9 p -110.82 -52.11 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -144.71 155.65 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -152.72 157.39 40.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -171.57 -158.38 15.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.411 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 6.0 m -134.21 163.94 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.38 179.26 43.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.72 120.11 41.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.674 ' HB ' HD13 ' A' ' 18' ' ' LEU . 35.2 m -43.97 -33.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -54.29 -42.68 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 40.1 p -72.82 130.08 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -135.03 118.54 16.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -128.49 172.29 11.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.63 149.46 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 54.5 mt -109.74 117.63 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.5 ptm -117.66 168.17 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -112.3 102.82 10.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 38.0 p -68.95 -55.08 12.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 167.67 169.38 31.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 58.68 30.47 19.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 65.66 29.35 10.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.438 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 12.3 mmt85 -92.68 156.84 16.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 7.6 m-85 -137.87 120.9 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -110.94 156.34 21.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 32.6 t -132.4 105.05 7.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -97.85 130.59 44.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 168' ' ' PHE . 2.4 t -103.01 152.95 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 167' ' ' VAL . 81.1 m-85 -153.15 139.08 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -92.37 128.5 38.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 86.8 m -100.91 150.41 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.6 mt-10 -138.49 124.81 12.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.76 -50.46 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -119.92 173.37 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.406 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -89.93 32.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.57 -54.88 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.09 -29.35 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.16 -48.18 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.1 m -69.97 -22.25 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -81.8 -47.43 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.13 67.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 7.6 p -79.27 -38.93 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 29.3 tt0 -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -43.58 -33.1 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 181' ' ' VAL . . . -60.56 -42.21 96.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -61.93 156.99 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -97.14 -57.33 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.12 -150.56 39.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 38.74 50.54 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -163.48 143.47 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.84 -127.45 0.9 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -173.13 163.53 4.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.88 -65.14 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.18 137.21 35.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 12' ' ' THR . 12.6 p -72.97 155.87 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.429 ' N ' HG22 ' A' ' 11' ' ' VAL . 15.2 p -83.96 151.0 59.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -9.46 26.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -95.28 -38.83 10.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' LEU . 13.1 mt-10 -64.56 -46.13 84.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -38.31 -39.69 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.27 -42.42 72.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 175' ' ' ALA . 18.3 mt -68.55 -57.46 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' LEU . 90.3 p -36.9 -50.99 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -50.47 -46.68 56.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mtt -54.25 -32.29 55.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 145' ' ' VAL . 41.5 mt-30 -77.85 -26.69 49.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -60.63 -67.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -125.63 -37.63 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.82 -168.96 12.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -137.88 105.41 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' CE1' ' A' ' 26' ' ' TYR . 2.8 mp0 -81.11 156.21 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.662 ' ND2' HG22 ' A' ' 30' ' ' THR . 19.2 t30 -93.04 108.17 30.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.78 -38.64 7.48 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.618 2.212 . . . . 0.0 112.359 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.662 HG22 ' ND2' ' A' ' 28' ' ' ASN . 6.5 t -52.97 -29.1 26.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.11 -49.12 60.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 29' ' ' PRO . 13.7 ptmt -70.19 -43.85 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.31 -51.4 70.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -57.36 -46.07 83.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -84.45 42.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.09 103.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 35.3 mmm -115.62 -40.64 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -75.63 97.23 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -125.73 89.41 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -141.99 142.8 32.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.1 176.07 45.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 174.84 8.94 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.7 t 54.49 46.47 24.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -87.36 168.61 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.21 133.74 8.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 46' ' ' ILE . 4.8 mp -131.32 56.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -96.46 151.54 19.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.03 148.29 4.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.0 mtm-85 -118.18 40.02 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.35 104.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.7 m -133.05 138.75 46.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -137.78 139.52 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.46 -156.27 23.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.0 p -118.8 148.98 42.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 m -159.35 139.81 12.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.56 108.9 0.77 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 m -80.46 156.41 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.38 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 m -113.94 154.37 27.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.77 149.87 42.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -120.07 150.58 40.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -161.2 113.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.53 -178.67 16.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.61 54.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.1 p -137.52 143.53 41.29 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.58 0.705 . . . . 0.0 111.112 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -177.85 2.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -112.3 94.93 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.8 m -81.7 127.58 33.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -129.68 18.85 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 pp -98.41 165.22 11.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' A' ' 116' ' ' ALA . 7.6 p -164.45 136.89 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.436 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 26.2 mt-30 -106.11 120.65 42.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -110.49 113.74 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 98.8 m-85 -110.74 163.08 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.488 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -107.5 125.88 51.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 21.7 m -160.1 178.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -113.2 157.41 21.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.0 108.8 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.5 mp -74.47 -32.62 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.93 -166.74 24.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 20.1 ttp -112.0 128.13 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -123.82 122.15 26.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.526 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.85 132.07 22.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.8 m -109.45 154.78 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.39 -30.96 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -122.65 144.77 43.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -16.97 37.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 m -141.7 175.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.8 134.61 6.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.487 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -69.06 -57.76 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.723 0.297 . . . . 0.0 110.832 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -44.57 -39.23 4.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -65.77 -46.45 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.0 tp -51.01 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -53.52 -55.19 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' ASN . 10.4 t -35.42 -43.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.435 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -73.01 -50.81 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.515 HG23 HG11 ' A' ' 167' ' ' VAL . 19.6 mt -40.95 -55.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 98' ' ' ASN . 56.4 mt-10 -57.62 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 97' ' ' GLU . 7.7 t-20 -36.13 -42.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.4 mt -81.32 -45.85 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -41.77 -42.29 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.9 t -81.07 -31.86 34.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t -57.64 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 p -128.81 157.23 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 67.3 m -82.52 163.66 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -54.32 -44.49 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.97 -31.62 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -61.78 -20.97 64.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.5 m0 -73.92 119.79 77.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 121.43 8.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -57.34 118.48 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -121.22 177.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -129.32 141.39 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 35.6 ttm -95.17 104.06 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.433 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 32.6 t30 -93.84 96.27 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.38 101.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.657 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -137.58 140.84 41.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 t70 51.17 40.96 27.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 57.99 44.8 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 136' ' ' ARG . 26.9 m -140.1 119.16 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.5 t -87.97 111.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -121.85 113.89 20.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.604 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 69.8 t -81.46 94.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.15 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.3 t -59.87 154.01 19.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -51.56 -57.47 9.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -70.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -51.64 118.27 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -104.22 38.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 38.4 tp10 -95.82 -40.69 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.1 p 43.11 46.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -36.25 -39.19 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.4 t -146.66 129.43 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -114.09 104.4 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.4 t -118.85 146.54 44.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' A' ' 119' ' ' THR . 92.6 mtt180 -119.6 122.4 41.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.7 t -40.1 -49.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -50.43 -41.04 51.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -73.56 -31.12 63.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.413 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.3 tt -51.47 123.12 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -92.99 -53.14 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -150.38 151.08 32.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.66 160.03 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.94 -168.26 34.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 22' ' ' GLN . 21.6 m -121.78 150.68 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.407 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -79.8 -167.6 35.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -48.53 -33.4 9.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 149' ' ' VAL . 4.3 m-20 -116.46 112.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.9 m -35.97 -40.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 149' ' ' VAL . 70.5 m80 -40.84 -47.92 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.7 p -75.89 126.82 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -125.65 119.86 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -129.61 162.35 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.2 p90 -151.82 142.94 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 65.4 mt -97.53 132.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' MET . . . . . 0.543 ' SD ' HG23 ' A' ' 158' ' ' THR . 1.4 ppp? -134.93 169.68 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 159' ' ' GLY . 2.4 t0 -112.87 133.14 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.543 HG23 ' SD ' ' A' ' 156' ' ' MET . 53.7 p -110.13 -1.23 17.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 157' ' ' ASP . . . 116.3 172.33 16.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.34 32.97 17.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 57.47 34.55 24.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -102.58 146.0 28.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.45 122.12 27.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -111.01 149.1 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.5 t -122.88 105.65 10.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -92.39 125.89 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.515 HG11 HG23 ' A' ' 96' ' ' ILE . 5.3 t -103.36 154.03 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.604 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 77.8 m-85 -153.91 144.34 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -95.65 127.18 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.457 ' SG ' HG21 ' A' ' 177' ' ' VAL . 69.7 m -115.67 151.74 34.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.543 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 35.0 mt-10 -142.45 139.21 17.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.8 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.314 0.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -124.11 157.63 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 41.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.5 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -87.07 -42.83 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -74.88 -25.73 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.457 HG21 ' SG ' ' A' ' 170' ' ' CYS . 61.5 t -83.71 -44.83 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.6 p -66.15 -37.01 84.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -73.42 -35.47 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -68.04 -47.95 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 182' ' ' GLN . 11.9 p -66.58 -40.75 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 181' ' ' VAL . 13.3 tt0 -66.06 -35.43 80.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.07 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' CYS . . . . . 0.408 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . 87.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 52.24 45.13 28.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -150.94 161.24 43.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.85 -84.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p 48.1 42.15 16.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -58.38 -52.22 66.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.75 -137.27 41.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.62 179.12 5.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.94 -68.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.68 127.33 35.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 12' ' ' THR . 13.4 p -66.66 156.26 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.441 ' N ' HG22 ' A' ' 11' ' ' VAL . 2.4 p -95.16 152.48 39.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.58 0.705 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -13.12 34.09 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' OE1' ' HB1' ' A' ' 175' ' ' ALA . 25.4 mm-40 -91.22 -36.78 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 18' ' ' LEU . 17.0 mt-10 -63.49 -40.69 97.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -40.77 -33.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -83.4 -36.88 23.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.481 HD13 HG11 ' A' ' 149' ' ' VAL . 53.2 mt -66.79 -38.3 86.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -49.05 -43.84 41.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -61.06 -51.63 68.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.3 mmt -46.42 -21.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.455 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 83.9 mt-30 -95.56 -35.91 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -53.02 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -121.56 -40.68 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -163.43 12.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -144.14 112.48 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -97.84 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -84.38 117.5 68.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.627 2.218 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.4 m -48.48 -45.25 36.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.7 -59.11 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -54.05 -53.92 46.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 34' ' ' PHE . 1.8 t80 -42.37 136.02 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER 32.72 50.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.44 -38.99 74.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -61.83 135.53 57.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.1 ptm -133.11 127.21 33.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -50.03 -51.16 44.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -47.17 155.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.0 t 57.54 47.93 15.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.8 89.17 0.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.64 68.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -88.64 7.37 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.7 m -134.92 102.58 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.43 88.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.3 pt -133.25 121.09 41.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.331 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' ILE . 12.4 mt-10 36.44 35.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.39 170.89 18.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -127.46 138.39 52.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -119.0 -153.24 9.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.6 t 44.18 44.43 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -101.82 99.32 9.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.15 -44.82 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -102.93 152.07 21.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -115.77 -48.17 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.69 133.48 7.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.449 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.6 t -164.69 143.18 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.0 m -60.01 -43.59 95.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.85 52.3 2.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.0 p -145.25 117.1 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.3 t -65.75 -55.3 17.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.71 155.48 10.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 176.6 6.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.47 142.25 13.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.556 0.693 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 150.39 67.94 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.448 ' N ' ' HE2' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -50.75 133.37 26.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 67' ' ' THR . 12.9 t -155.96 124.14 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -131.06 22.71 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' H ' HD23 ' A' ' 69' ' ' LEU . 1.7 pt? -121.85 164.66 17.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p -169.26 151.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -119.39 128.33 53.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -118.42 112.2 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -106.42 162.42 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -100.53 113.05 25.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 111' ' ' VAL . 33.2 m -149.5 164.19 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -106.91 164.25 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.47 108.88 16.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.476 HD13 HG12 ' A' ' 167' ' ' VAL . 7.7 mp -67.75 -51.34 50.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.04 -175.87 33.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.439 ' HE1' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -101.22 105.18 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.631 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.9 OUTLIER -113.33 119.36 42.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.631 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.8 144.99 55.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -114.27 165.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -94.64 -26.36 16.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -125.74 145.26 50.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -18.94 36.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.746 2.297 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.91 HG12 ' HB2' ' A' ' 142' ' ' PHE . 27.1 m -145.7 177.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.96 146.56 14.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.4 mmt -78.8 -53.9 6.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -51.73 -20.72 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.5 m -88.76 -48.42 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.479 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -61.93 -56.54 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' SER . 6.6 m-80 -47.76 -52.49 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 93' ' ' ASN . 23.2 t -38.42 -42.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -62.15 -58.79 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.427 ' HA ' HG21 ' A' ' 167' ' ' VAL . 77.0 mt -35.95 -62.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.26 -48.54 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.599 ' O ' HG22 ' A' ' 101' ' ' THR . 11.5 t-20 -42.65 -60.37 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.04 -43.56 91.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 mtt -46.1 -44.22 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 98' ' ' ASN . 12.4 t -80.62 -21.61 41.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.3 m -72.59 -39.87 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.75 179.66 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.7 m -104.57 163.09 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.34 -41.92 73.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.26 -35.99 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -49.9 -36.4 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -61.86 120.29 55.77 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.478 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.3 Cg_endo -69.8 134.55 28.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -61.91 114.96 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 75' ' ' VAL . 17.6 m -121.95 176.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -133.62 140.75 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.51 105.27 17.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -93.07 96.61 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.09 113.44 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.16 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.7 t0 62.34 47.36 5.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 56.47 40.09 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -131.16 119.17 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.92 99.51 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.1 m -113.76 114.56 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.36 104.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 131' ' ' VAL . 6.8 mm -100.61 135.92 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -53.34 157.05 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -97.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.54 125.51 22.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -93.07 -26.6 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -102.14 26.52 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.6 tp10 -85.66 -30.48 23.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 131' ' ' VAL . 8.6 p 33.5 49.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 131' ' ' VAL . 78.8 mt -36.08 -41.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.72 140.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -123.48 103.21 8.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.1 t -117.7 151.03 38.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 137' ' ' VAL . 84.3 mtt180 -129.15 121.19 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 136' ' ' ARG . 83.9 t -35.43 -53.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 138' ' ' ARG . 14.0 mtp-105 -39.23 -45.65 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.4 -41.14 63.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.3 tt -39.92 113.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.9 p -89.84 -48.03 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.91 ' HB2' HG12 ' A' ' 87' ' ' VAL . 38.7 t80 -148.74 147.27 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.5 ' HB3' HD21 ' A' ' 140' ' ' LEU . 2.7 ptt? -145.57 146.31 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.04 -179.82 39.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 6.5 m -115.94 150.06 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.167 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -82.77 -178.13 52.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 146' ' ' GLY . 48.9 mtpt -35.71 -46.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.29 113.2 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.1 m -38.6 -44.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.493 ' N ' HG23 ' A' ' 149' ' ' VAL . 79.3 m80 -35.22 -42.77 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 65.1 p -82.09 133.25 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -134.03 113.95 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.654 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -126.85 156.65 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -146.25 146.23 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.7 mt -100.62 121.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.2 ptm -121.31 165.5 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -104.53 120.72 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.6 p -96.5 -17.59 20.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 131.81 169.97 12.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 53.35 33.18 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 59.38 32.86 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -93.88 153.32 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -133.91 118.24 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.434 ' CD ' ' SD ' ' A' ' 80' ' ' MET . 56.6 mt-10 -113.11 146.95 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.2 t -118.61 114.96 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 168' ' ' PHE . 44.6 m80 -104.89 107.62 18.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 153' ' ' ALA . 30.1 t -87.52 151.45 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 76.1 m-85 -151.23 142.1 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -94.21 130.25 40.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.8 m -115.06 152.0 33.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 31.1 mt-10 -140.43 134.94 15.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.82 -48.16 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.33 0.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -120.48 179.88 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.47 34.06 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.491 ' HB1' ' OE1' ' A' ' 14' ' ' GLU . . . -81.8 -47.85 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -68.74 -30.02 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.26 -49.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.8 p -57.23 -37.98 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 180' ' ' ALA . 9.3 pt-20 -76.46 -38.2 55.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 179' ' ' GLU . . . -59.29 -44.99 92.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 182' ' ' GLN . 14.8 p -75.4 -42.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.45 ' N ' HG13 ' A' ' 181' ' ' VAL . 23.5 tt0 -51.94 -54.9 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.34 -49.51 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -43.55 -46.43 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -114.64 138.61 50.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 m -126.17 149.52 48.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -140.75 95.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' GLY . 22.2 t -35.65 -49.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m 59.81 43.06 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.74 172.71 14.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -116.59 94.79 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.58 164.19 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.96 130.59 47.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -48.52 146.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.072 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 p -77.25 150.8 80.69 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.536 0.684 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.84 22.07 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.326 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -95.29 -44.28 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 18' ' ' LEU . 15.9 mt-10 -56.15 -52.43 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -39.4 -50.67 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -54.88 -50.25 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 175' ' ' ALA . 16.6 mt -58.72 -49.83 76.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -38.82 -51.72 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -57.11 -44.38 83.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.6 mtt -59.15 -30.4 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.554 ' HG2' HG23 ' A' ' 145' ' ' VAL . 53.7 mt-30 -83.81 -32.66 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -60.38 -63.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -126.73 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -165.54 14.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -130.67 105.79 8.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -89.68 140.92 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -70.74 116.76 49.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.61 23.49 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' TYR . 6.6 p -67.1 -56.2 11.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' THR . 3.3 t80 -37.08 -46.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 35' ' ' GLU . 18.8 ttpt -50.75 -49.75 57.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -41.26 -33.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -70.73 -43.31 69.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' LYS . 14.7 mm-40 -50.92 -38.24 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.54 106.1 17.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 ptp -88.1 123.76 33.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -103.36 88.7 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -166.82 169.22 13.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.5 p -94.51 130.35 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.5 -175.75 26.88 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 155.35 66.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 36.2 t -85.62 -55.3 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' SER . 4.7 m -36.05 115.89 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.01 122.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 mt -88.6 55.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 39.48 42.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.86 165.96 32.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.05 5.34 5.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.16 -156.12 19.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.3 p -49.45 176.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.5 m -111.78 176.26 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.23 -118.81 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 t -163.64 169.94 17.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -147.92 172.72 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -122.48 -166.64 12.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 m -87.84 138.91 31.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.1 t -130.75 -60.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.36 87.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.0 m -84.47 101.0 11.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -68.57 126.78 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -134.99 147.05 19.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.3 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.08 142.2 18.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 176.47 6.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -70.5 122.38 19.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -124.5 129.29 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -118.95 -5.39 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.845 HD22 ' C ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -123.21 154.87 38.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' A' ' 116' ' ' ALA . 6.4 p -175.14 150.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.28 134.47 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -123.95 115.15 20.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 180' ' ' ALA . 84.2 m-85 -113.68 154.07 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.93 114.7 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -150.7 159.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -101.14 161.13 13.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -113.91 99.97 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 6.7 mp -55.38 -55.27 33.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.17 -170.9 37.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.1 ttp -103.06 131.14 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.15 116.63 6.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 150.78 68.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.83 154.07 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.28 -31.31 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -123.15 145.03 44.96 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.746 . . . . 0.0 110.812 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -20.67 34.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.43 169.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.7 125.85 4.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.5 mmt -59.01 -60.2 4.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -43.91 -40.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.7 m -66.59 -52.57 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 92' ' ' LEU . 8.1 tt -61.12 -57.91 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.516 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.1 m-80 -47.3 -52.98 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -38.75 -49.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.67 71.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 93' ' ' ASN . 82.2 mt -46.73 -57.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.97 -39.36 85.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 101' ' ' THR . 6.7 t-20 -51.78 -54.35 29.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.95 -42.88 69.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.5 mtt -45.64 -42.83 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 98' ' ' ASN . 15.0 t -80.61 -21.5 41.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.8 t -74.96 -49.19 20.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.4 m -121.55 171.83 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.5 m -97.66 163.21 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 17.9 tttm -56.01 -39.06 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -78.31 -42.32 31.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -45.0 -41.43 7.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 5.6 m0 -55.32 123.36 48.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.494 0.664 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 134.6 28.37 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 m -70.97 107.48 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.08 175.1 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -125.4 134.36 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.9 tpp -86.35 104.44 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -89.65 97.31 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.45 102.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.703 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.39 147.25 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.5 t0 43.31 50.5 5.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.44 44.96 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -136.21 111.59 9.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.69 112.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.0 m -128.27 129.45 46.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.7 100.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.54 HD13 ' HA ' ' A' ' 131' ' ' VAL . 22.6 mm -100.28 130.1 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -51.02 147.98 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -51.2 -59.29 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -75.8 -72.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -54.82 143.91 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -111.84 -21.05 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.468 ' C ' ' CD ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -107.18 34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.432 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 7.2 tp10 -95.65 -39.87 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.6 p 42.01 48.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 131' ' ' VAL . 89.2 mt -34.42 -44.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 84.5 t -137.95 141.9 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -127.09 113.11 15.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 t -134.67 149.23 50.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 137' ' ' VAL . 54.7 mtt85 -118.24 127.28 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 136' ' ' ARG . 86.5 t -37.51 -57.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 138' ' ' ARG . 10.9 mtp-105 -40.45 -51.43 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.1 -39.9 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.97 110.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.0 p -79.3 -53.84 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 143' ' ' MET . 33.4 t80 -154.0 157.18 38.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.424 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.9 OUTLIER -153.1 159.27 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.55 -174.2 39.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.554 HG23 ' HG2' ' A' ' 22' ' ' GLN . 34.6 m -115.25 157.26 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -89.45 177.99 44.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 146' ' ' GLY . 55.0 mmtt -34.99 -41.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -107.05 113.96 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.1 m -38.08 -42.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.462 ' N ' HG23 ' A' ' 149' ' ' VAL . 60.7 m80 -40.82 -46.65 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 81.7 p -78.52 126.34 30.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.436 ' CZ ' HG11 ' A' ' 181' ' ' VAL . 33.7 t80 -127.37 122.15 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.403 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -127.91 162.02 27.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.419 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.3 p90 -153.57 143.44 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 74.9 mt -96.27 130.99 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' MET . . . . . 0.595 ' SD ' HG23 ' A' ' 158' ' ' THR . 3.1 ppp? -126.04 156.21 40.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.81 138.38 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.595 HG23 ' SD ' ' A' ' 156' ' ' MET . 37.5 p -119.4 -39.02 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -130.04 -143.79 5.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -71.34 -67.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -114.82 17.51 16.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -89.38 138.52 31.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -136.93 121.85 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -108.72 147.54 31.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.0 t -121.14 127.78 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -116.27 110.66 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.417 HG21 ' HA ' ' A' ' 96' ' ' ILE . 11.9 t -88.02 154.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -150.65 162.04 41.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -114.79 140.65 48.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 75.1 m -121.29 155.29 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 85.3 mt-10 -142.23 130.19 11.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.7 -48.56 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.368 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -123.15 161.19 24.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -85.31 37.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -87.15 -31.39 20.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -84.16 -30.47 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 181' ' ' VAL . 76.3 t -82.17 -48.13 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.7 m -56.68 -38.91 72.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.49 -30.25 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . . . -70.94 -53.35 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 152' ' ' PHE . 5.2 p -63.47 -32.25 55.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.83 -46.44 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.3 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -94.94 137.19 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -158.47 148.47 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.82 57.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p -68.05 138.32 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -127.01 114.74 18.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.34 67.34 2.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -78.31 114.69 17.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' ASP . . . -36.92 -64.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.52 129.33 44.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.43 134.59 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -62.31 150.58 84.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.537 0.684 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -11.02 29.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.3 -33.44 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -73.07 -64.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -40.77 -39.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -67.66 -43.0 81.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 173' ' ' ASN . 18.5 mt -59.83 -57.67 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' LEU . 43.4 m -37.88 -44.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -48.08 -58.25 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -45.4 -38.66 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' HG2' HG23 ' A' ' 145' ' ' VAL . 82.9 mt-30 -72.67 -39.12 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -53.69 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -125.85 -45.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.41 -157.25 15.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -139.98 105.49 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 0.0 110.937 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -92.42 153.4 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . 58.6 t-20 -96.82 110.16 52.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 53.9 Cg_endo -69.76 -42.29 3.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.5 m -46.69 -57.48 4.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -47.52 -55.84 8.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -46.84 -57.64 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -51.34 -51.3 55.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -55.72 -43.65 76.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.75 48.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -45.13 143.92 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -34.47 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -69.01 121.83 17.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -83.84 87.77 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.2 p -53.66 157.02 2.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.66 75.71 0.46 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 87.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -100.75 41.95 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 m -125.71 163.2 23.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' C ' HG13 ' A' ' 46' ' ' ILE . . . -164.16 -81.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 45' ' ' GLY . 75.3 mt -147.42 111.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -141.75 152.72 44.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.35 -141.26 2.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -95.36 153.84 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.64 128.86 3.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -155.09 -179.85 8.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.883 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 m -151.04 163.41 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.39 158.3 15.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 t -166.93 164.87 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -158.34 156.02 29.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.74 -173.91 13.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.7 m -133.82 132.24 40.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -114.49 150.17 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.49 -155.33 13.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 p -164.39 150.82 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -135.73 131.68 35.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.62 114.15 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.94 9.61 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.7 p -66.74 145.83 98.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.551 0.691 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 170.66 16.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.34 32.73 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 67' ' ' THR . 12.6 t -55.39 120.12 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.6 1.33 46.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.8 143.81 52.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 116' ' ' ALA . 2.5 p -165.04 145.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -112.02 134.43 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -120.37 122.65 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.64 150.82 37.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.67 114.22 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.15 -178.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 46.8 mt-30 -113.04 163.61 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -122.21 102.95 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.633 HD13 HG12 ' A' ' 167' ' ' VAL . 6.5 mp -68.42 -38.61 81.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.58 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.0 ttp -94.42 124.54 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.531 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.9 OUTLIER -125.92 120.12 24.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.916 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.81 142.74 48.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.37 161.82 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -85.01 -34.55 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -124.04 150.62 63.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -18.88 36.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.605 HG12 ' CB ' ' A' ' 142' ' ' PHE . 33.6 m -142.98 170.05 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.89 128.92 3.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.29 -57.84 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.21 -53.23 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.2 m -51.47 -44.2 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.44 -52.1 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.42 -47.37 81.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -39.54 -49.1 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' ASN . . . -62.14 -58.22 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -42.41 -45.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 101' ' ' THR . 45.4 mt-10 -71.38 -30.37 66.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' ALA . 10.9 t-20 -65.84 -44.01 86.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 81' ' ' LEU . 19.3 mt -82.23 -33.96 29.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.402 ' CE ' HG21 ' A' ' 151' ' ' THR . 4.4 mmt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 97' ' ' GLU . 9.8 t -75.78 -23.65 55.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -65.25 -53.75 39.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 p -124.18 -177.95 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 75.4 m -100.87 166.79 10.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.471 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 33.7 tttm -59.36 -42.9 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -71.5 -42.9 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.47 -34.86 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 10.5 m0 -59.18 121.01 52.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.471 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.8 Cg_endo -69.7 130.56 19.62 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.2 p -60.51 120.23 9.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 109' ' ' PRO . 20.8 m -128.25 168.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -122.87 136.05 54.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 37.3 ttm -89.39 100.08 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 35.0 t-20 -86.14 96.5 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.4 t -100.13 105.46 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.525 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.48 140.51 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.5 t0 54.58 43.02 30.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.414 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 54.76 40.28 31.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 136' ' ' ARG . 49.7 m -134.7 119.08 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 135' ' ' CYS . 77.6 t -91.25 106.84 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.9 m -120.78 124.48 45.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 76.3 t -89.62 98.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 14.1 mm -94.32 137.11 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.8 t -53.52 158.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.42 -47.81 18.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -95.4 28.98 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.72 166.24 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 13.6 tt0 -129.13 -34.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.86 31.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.436 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 4.9 tp10 -96.65 -41.04 8.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.1 p 38.0 47.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 131' ' ' VAL . 80.4 mt -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 77.0 t -137.79 134.98 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.62 106.75 12.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' VAL . 42.1 t -123.55 139.89 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.465 ' HG2' HG23 ' A' ' 119' ' ' THR . 40.0 mtm180 -116.8 125.21 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 99.3 t -39.73 -51.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -42.04 -41.88 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -78.32 -35.74 47.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.425 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 tt -45.54 115.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.4 p -85.96 -51.12 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.605 ' CB ' HG12 ' A' ' 87' ' ' VAL . 12.9 t80 -151.35 142.63 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.499 ' HE1' HG22 ' A' ' 181' ' ' VAL . 3.2 ptt? -138.4 144.11 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -161.89 -157.75 9.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.403 HG23 ' HG2' ' A' ' 22' ' ' GLN . 27.1 m -126.88 176.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -112.71 -169.24 17.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.6 mtpp -35.0 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.58 120.9 41.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.436 ' HB ' HD22 ' A' ' 18' ' ' LEU . 27.6 m -44.17 -27.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -53.43 -43.55 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.402 HG21 ' CE ' ' A' ' 100' ' ' MET . 58.4 p -80.09 124.43 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.4 115.14 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.402 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -125.86 152.56 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.89 144.3 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.543 HD12 ' HD2' ' A' ' 142' ' ' PHE . 65.7 mt -98.59 115.87 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -118.96 171.71 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.406 ' C ' ' SD ' ' A' ' 156' ' ' MET . 0.5 OUTLIER -114.02 120.25 39.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.7 p -85.52 -50.96 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -102.89 -126.06 5.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -89.34 -65.12 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.531 ' O ' ' CZ ' ' A' ' 163' ' ' PHE . 7.5 mm-40 -109.55 0.19 19.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.99 134.21 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.531 ' CZ ' ' O ' ' A' ' 161' ' ' GLN . 2.4 m-85 -130.8 117.27 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -109.5 154.65 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.61 120.77 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 168' ' ' PHE . 69.8 m80 -105.41 120.07 40.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.633 HG12 HD13 ' A' ' 78' ' ' LEU . 45.9 t -96.66 137.63 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 82.6 m-85 -141.18 127.97 20.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -83.98 130.32 34.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.647 ' SG ' HG21 ' A' ' 177' ' ' VAL . 71.4 m -110.66 157.51 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 9.2 mm-40 -144.12 130.17 9.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.72 -48.76 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.306 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.492 ' HB2' HD11 ' A' ' 18' ' ' LEU . 45.1 p30 -119.06 173.79 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.47 35.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -58.34 -43.27 88.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.647 HG21 ' SG ' ' A' ' 170' ' ' CYS . 59.0 t -62.49 -61.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 58.1 m -55.55 -26.98 46.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -77.36 -48.71 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -54.92 -53.98 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.499 HG22 ' HE1' ' A' ' 143' ' ' MET . 7.6 p -55.94 -44.62 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.466 ' N ' HG13 ' A' ' 181' ' ' VAL . 35.3 mt-30 -51.04 -50.69 58.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -56.17 -38.12 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 181' ' ' VAL . . . -52.62 -46.91 67.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -79.79 152.16 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -158.02 112.56 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.76 148.35 19.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -81.37 95.18 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 p -77.89 129.77 35.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.01 43.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -55.07 150.26 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.35 -64.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.88 145.74 25.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 p -85.15 144.19 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -83.54 151.14 61.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -96.4 -28.48 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.06 -41.89 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -42.62 -40.78 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -74.68 -41.98 59.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 175' ' ' ALA . 15.1 mt -62.62 -32.96 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -52.98 -56.23 17.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -47.16 -48.92 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 mtt -53.99 -35.39 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -75.86 -41.8 51.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -52.99 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -124.52 -47.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.71 -166.13 12.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -123.38 106.74 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.938 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -95.05 148.41 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -94.46 117.19 67.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -41.02 4.61 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.248 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.3 m -49.99 -47.01 53.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 40.6 t80 -55.58 -66.97 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' PHE . 16.8 ttmt -51.68 -58.85 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 32' ' ' LYS . 4.7 t80 -35.06 -49.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -54.98 -51.05 67.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' OE2' ' CD2' ' A' ' 31' ' ' TYR . 1.3 mp0 -55.83 -58.1 9.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' MET . 14.4 mm-40 -85.05 43.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 36' ' ' GLN . 1.3 ttm -34.06 111.79 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -99.39 151.18 21.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -75.07 179.79 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -134.5 -54.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.51 146.78 18.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.518 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 89.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -102.52 126.28 49.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.2 p -105.71 -55.78 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.01 -159.48 28.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.69 HD12 ' N ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -108.7 122.83 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.69 ' N ' HD12 ' A' ' 46' ' ' ILE . 6.0 tp10 -50.42 145.83 5.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.15 -163.02 42.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' NE ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -145.62 168.1 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.8 73.2 1.05 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -171.23 126.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 t -156.02 123.44 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.76 71.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.4 p -160.53 120.0 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.863 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 p -93.36 -4.52 51.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.82 126.23 0.46 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.9 t -123.56 83.78 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.6 p -148.72 159.27 44.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.45 -151.94 5.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.6 t -162.66 136.11 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 0.0 110.817 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.6 m -134.91 113.55 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.08 75.84 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.48 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 p -73.07 142.73 82.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.711 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.74 43.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.224 . . . . 0.0 112.344 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -91.45 138.48 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 p -84.38 147.75 26.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -101.01 -5.16 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.611 ' H ' HD23 ' A' ' 69' ' ' LEU . 1.9 pt? -113.08 173.07 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 116' ' ' ALA . 48.6 t -155.2 135.41 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -100.58 128.51 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -123.98 116.59 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.07 155.37 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.59 126.41 44.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.3 m -154.04 173.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 37.7 mt-30 -109.45 153.81 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -111.63 101.99 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.48 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.2 mp -65.24 -43.1 92.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.489 ' O ' HD11 ' A' ' 99' ' ' LEU . . . 142.83 174.44 15.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.1 ttp -93.14 130.24 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -126.7 121.26 23.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.907 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.526 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.73 134.79 28.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.65 164.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.57 -23.24 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -120.5 144.09 37.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 54.0 Cg_endo -69.68 -24.77 29.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -142.51 177.53 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.95 10.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -78.29 -57.25 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.51 -21.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.7 m -88.69 -48.52 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.403 ' C ' HD23 ' A' ' 92' ' ' LEU . 9.2 tt -63.36 -44.58 94.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -61.58 -55.49 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -40.57 -45.27 2.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.1 -50.93 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' A' ' 167' ' ' VAL . 90.0 mt -46.54 -62.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.28 -43.88 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -48.48 -52.17 23.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 79' ' ' GLY . 87.8 mt -70.5 -40.72 73.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.3 mtt -51.78 -45.66 63.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -19.56 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.2 t -71.46 -45.45 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -135.52 178.02 7.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.432 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 1.2 m -98.53 166.07 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.1 tttm -59.9 -30.37 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -78.42 -37.05 44.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.03 -33.47 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.487 ' CD2' ' HA ' ' A' ' 105' ' ' LYS . 5.3 m0 -63.93 117.22 33.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.526 0.679 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.501 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.6 Cg_endo -69.73 126.34 13.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.4 m -62.73 111.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 109' ' ' PRO . 5.8 m -112.63 -176.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -131.07 138.76 49.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 21.3 ttm -93.3 110.24 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.439 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 28.5 t-20 -93.88 97.17 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.38 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.829 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -149.19 142.92 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.8 t0 52.01 38.4 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 55.94 40.2 30.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 16.9 m -131.77 117.6 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.73 107.71 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.449 ' CG2' HG23 ' A' ' 131' ' ' VAL . 38.6 m -124.53 125.15 43.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.4 t -89.68 101.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.3 mm -96.6 139.44 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -58.83 153.78 16.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.44 -48.98 53.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 19.0 pttm -79.31 -50.5 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 50.2 m-20 -88.3 146.85 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -105.18 -32.34 8.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.15 40.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -100.24 -33.2 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 131' ' ' VAL . 10.9 p 34.13 48.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 131' ' ' VAL . 88.1 mt -34.51 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 74.2 t -143.68 138.93 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -122.61 110.58 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.47 152.29 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -128.29 128.79 45.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 118' ' ' ALA . 84.9 t -40.34 -46.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -50.71 -41.22 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' A' ' 157' ' ' ASP . 8.9 m-85 -76.68 -36.54 57.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.1 tt -45.36 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.4 p -72.28 -46.18 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -154.67 155.55 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.735 ' HB3' HD21 ' A' ' 140' ' ' LEU . 1.8 ptt? -151.19 155.08 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -170.14 -168.81 32.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.48 165.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -95.44 178.06 35.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 146' ' ' GLY . 16.8 ptmt -36.71 -36.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.19 120.73 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 14.5 m -45.61 -30.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -52.84 -38.65 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.442 ' CG2' ' CZ3' ' A' ' 169' ' ' TRP . 54.9 p -86.64 134.62 33.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -136.12 115.82 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -121.78 159.26 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.421 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.6 p90 -147.31 145.59 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 91.0 mt -101.03 133.55 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' MET . . . . . 0.504 ' SD ' HG22 ' A' ' 158' ' ' THR . 2.2 ppp? -130.79 164.48 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' A' ' 139' ' ' PHE . 5.2 p-10 -105.74 123.07 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.504 HG22 ' SD ' ' A' ' 156' ' ' MET . 6.2 p -96.45 -54.99 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -107.84 -133.93 7.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -73.67 -68.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.483 ' O ' ' CE2' ' A' ' 163' ' ' PHE . 5.5 mp0 -114.96 2.55 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -70.7 137.05 49.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.483 ' CE2' ' O ' ' A' ' 161' ' ' GLN . 9.6 m-85 -137.82 134.75 35.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -120.01 150.12 41.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.1 t -117.46 109.99 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 168' ' ' PHE . 68.6 m80 -96.79 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.52 HG21 ' HA ' ' A' ' 96' ' ' ILE . 10.6 t -96.82 136.16 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.444 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 54.5 m-85 -136.22 153.87 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.442 ' CZ3' ' CG2' ' A' ' 151' ' ' THR . 29.6 t-105 -103.4 129.61 50.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 177' ' ' VAL . 83.7 m -114.93 152.07 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.557 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 29.1 mt-10 -142.72 139.63 17.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.348 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -121.91 161.58 22.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.85 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -69.9 -46.35 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.07 -43.47 71.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.626 HG21 ' SG ' ' A' ' 170' ' ' CYS . 69.2 t -67.2 -61.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.0 p -54.88 -17.28 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.13 -46.43 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.69 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -80.4 -36.81 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -60.45 -46.09 91.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.71 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -55.09 -46.87 75.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 37.95 42.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 p -92.25 157.09 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.23 -179.56 18.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -46.17 137.31 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.2 p -135.75 163.35 30.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.13 138.23 6.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -169.9 176.02 4.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.66 -53.58 17.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 128.48 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -47.63 140.8 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -75.62 151.63 84.98 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.565 0.698 . . . . 0.0 111.18 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -9.97 27.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.252 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -95.42 -45.02 7.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -56.12 -41.5 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -40.58 -56.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -62.01 -42.68 99.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -55.1 -45.02 75.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.6 t -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -54.36 -54.72 36.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.472 ' HE3' ' HB3' ' A' ' 178' ' ' SER . 12.5 mmt -45.02 -37.66 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -79.78 -41.17 27.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -50.77 -58.13 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -130.02 -45.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.31 -167.8 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -134.88 114.76 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.952 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -103.22 155.14 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . 52.4 t-20 -90.91 113.28 57.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 54.5 Cg_endo -69.72 -49.57 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.0 m -50.45 -39.84 48.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -60.67 -50.64 72.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -12.23 60.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' PHE . 6.2 t80 -75.33 136.25 40.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER 32.94 51.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 36' ' ' GLN . 11.4 pt-20 -79.43 -40.85 28.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 18.2 tt0 -54.58 155.7 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -131.5 172.7 11.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -98.81 125.45 44.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -101.06 119.09 38.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -54.33 -53.57 52.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.59 68.11 0.73 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.41 33.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -109.32 132.41 54.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -118.0 170.91 8.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.83 108.25 2.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.0 mt -137.09 130.79 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -95.72 127.32 41.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.68 -68.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -95.09 166.83 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -178.69 101.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.3 p -141.46 135.6 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -157.83 124.71 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.26 123.69 1.3 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m -166.03 114.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.827 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -126.04 144.84 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -167.44 122.84 1.07 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.545 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -131.55 137.84 48.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 p -118.89 -52.23 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.34 50.65 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.2 t -56.22 161.53 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.3 p -142.98 121.9 12.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.78 174.62 41.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 122.48 9.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 9.0 m -86.96 136.53 34.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 53.7 Cg_endo -69.79 164.16 35.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -136.35 116.12 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.792 HG22 ' H ' ' A' ' 69' ' ' LEU . 11.0 m -130.79 144.14 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.96 11.85 34.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.792 ' H ' HG22 ' A' ' 67' ' ' THR . 21.4 mt -118.59 157.29 27.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.588 HG23 ' HB2' ' A' ' 116' ' ' ALA . 4.3 p -174.97 140.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -104.93 126.19 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -116.96 120.85 39.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.24 159.74 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -102.09 121.42 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -154.58 173.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -111.63 160.3 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CD1' ' CE1' ' A' ' 168' ' ' PHE . 14.3 t80 -120.03 103.62 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mp -65.43 -49.62 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.69 167.29 14.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.561 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 14.4 ttp -78.38 124.91 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD23 ' CD2' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -127.5 117.27 21.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.409 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.78 149.87 67.31 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 m -127.7 158.58 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.09 -36.77 34.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -119.81 149.85 49.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.71 37.52 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.63 HG12 ' CB ' ' A' ' 142' ' ' PHE . 18.5 m -145.41 173.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.88 117.36 3.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -56.08 -55.46 32.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.2 -35.13 3.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -77.16 -50.61 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 153' ' ' ALA . 6.6 tt -57.42 -53.78 54.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.407 ' HA ' HD12 ' A' ' 96' ' ' ILE . 6.4 m-80 -55.72 -35.34 66.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -65.56 -45.99 81.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.55 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.5 ' HA ' HG21 ' A' ' 167' ' ' VAL . 90.5 mt -55.9 -53.36 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -60.71 -42.37 97.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -45.98 -36.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.56 ' CD2' HD23 ' A' ' 81' ' ' LEU . 32.2 mt -86.85 -48.49 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.67 -34.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -87.02 -39.91 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.9 p -58.73 -34.06 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -140.75 154.89 46.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.455 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 40.4 m -84.44 159.59 20.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.546 ' HA ' ' CH2' ' A' ' 108' ' ' TRP . 79.4 tttt -49.83 -45.21 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -71.89 -44.84 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.92 -39.76 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.546 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 2.8 m0 -58.77 119.96 41.72 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.553 0.692 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.77 13.72 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.1 m -59.79 117.26 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.38 178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -131.23 141.21 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.0 tpp -93.99 107.65 19.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -94.55 98.38 10.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 84.7 t -103.73 110.71 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.588 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -152.37 133.93 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 t0 56.07 44.02 26.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.406 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 56.68 42.11 27.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -134.44 113.97 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -92.01 102.41 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.548 ' CG2' HG23 ' A' ' 131' ' ' VAL . 28.8 m -117.6 119.72 35.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.9 97.82 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 131' ' ' VAL . 13.2 mm -93.52 133.32 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -58.52 147.73 30.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.1 -55.17 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -69.78 -63.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -78.52 138.38 38.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -97.66 -35.14 10.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.07 41.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -99.55 -32.48 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.679 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.7 p 35.31 48.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' VAL . 71.5 mt -35.55 -44.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.6 t -137.89 140.51 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -125.75 109.21 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 42.5 t -128.27 150.62 49.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 137' ' ' VAL . 50.4 mtt85 -125.83 121.63 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.682 HG11 ' HA ' ' A' ' 185' ' ' CYS . 57.9 t -34.43 -46.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -46.36 -49.38 17.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -71.14 -36.88 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.7 tt -39.12 118.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 77.6 p -88.41 -50.66 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.63 ' CB ' HG12 ' A' ' 87' ' ' VAL . 35.2 t80 -151.75 155.82 39.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 3.5 ptp -145.76 144.88 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -167.53 171.87 42.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.3 m -107.32 157.24 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.451 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -89.22 -177.95 45.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.6 OUTLIER -35.92 -44.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.67 119.13 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.04 -23.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -60.02 -40.42 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 45.6 p -80.88 129.32 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -135.54 114.46 12.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.581 ' HB2' ' HA ' ' A' ' 167' ' ' VAL . . . -125.46 167.98 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -150.79 140.03 21.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.25 121.04 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 8.9 ptm -118.8 167.27 11.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -106.15 105.51 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p -82.52 -55.73 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -100.29 -143.21 13.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -69.7 -70.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.43 ' O ' ' CZ ' ' A' ' 163' ' ' PHE . 1.6 mp0 -116.41 14.88 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.4 mpt_? -75.96 148.19 38.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.28 124.84 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -116.83 147.1 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 51.8 t -115.05 106.48 14.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.1 m-70 -97.0 107.6 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.581 ' HA ' ' HB2' ' A' ' 153' ' ' ALA . 11.6 t -89.16 148.29 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 84.0 m-85 -148.85 136.29 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -89.06 139.65 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.7 ' SG ' HG21 ' A' ' 177' ' ' VAL . 69.8 m -121.62 161.68 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 18.4 mt-10 -149.77 131.73 7.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.74 . . . . 0.0 110.934 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.9 Cg_endo -69.77 -49.43 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.366 0.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -120.5 172.21 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.55 40.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -83.92 -56.72 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -61.55 -39.99 93.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.7 HG21 ' SG ' ' A' ' 170' ' ' CYS . 93.1 t -63.93 -59.9 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.472 ' HB3' ' HE3' ' A' ' 21' ' ' MET . 6.9 m -55.8 -42.41 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.94 -50.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.54 -60.14 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 182' ' ' GLN . 6.2 p -53.98 -42.56 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.422 ' N ' HG13 ' A' ' 181' ' ' VAL . 1.2 tp-100 -47.11 -44.72 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.82 -46.84 86.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -51.66 -44.61 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' CYS . . . . . 0.682 ' HA ' HG11 ' A' ' 137' ' ' VAL . 73.8 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 t -52.27 -61.35 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -78.35 142.59 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.01 63.46 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 t -69.29 144.66 53.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 p -88.41 -45.9 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.25 67.24 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -135.06 160.33 38.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.2 -64.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.4 158.13 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 p -98.9 150.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -79.37 152.74 76.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 111.176 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.26 11.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.692 ' OE1' ' HB1' ' A' ' 175' ' ' ALA . 29.7 mm-40 -95.62 -57.66 2.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ARG . 16.1 mt-10 -47.21 -55.93 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 37.5 mtp180 -36.18 -53.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -61.69 -45.75 92.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.656 HD13 HG11 ' A' ' 149' ' ' VAL . 59.2 mt -61.16 -63.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' LEU . 16.2 p -35.87 -41.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -61.33 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.2 mmt -50.18 -21.77 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -95.93 -33.57 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.17 -73.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.77 -37.55 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.34 -174.24 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -117.65 96.69 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -89.71 142.72 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -80.89 118.25 71.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -27.21 26.78 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.653 2.235 . . . . 0.0 112.308 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.3 m -77.31 -59.88 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -45.03 -45.56 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -67.62 -28.16 67.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.09 -48.42 76.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.44 75.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -114.06 -31.42 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -50.38 162.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.8 mmt -66.37 117.23 8.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -55.19 126.01 23.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -89.99 88.87 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.6 m -165.97 116.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.97 128.43 3.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' SER . 53.3 Cg_endo -69.81 -5.77 17.04 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' PRO . 67.4 m -35.05 -42.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -125.75 111.52 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.6 62.8 0.63 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.6 pp -148.26 146.11 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.37 84.95 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.32 -173.46 36.24 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -42.6 -30.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.68 -149.61 25.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.8 p -172.3 176.38 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.2 p -102.09 171.69 7.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -149.26 -168.68 15.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 t -173.05 152.28 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -119.59 -53.04 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.23 -135.26 8.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.5 p -111.44 165.43 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.6 p -120.22 -53.83 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.68 -158.17 22.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m -70.16 142.94 52.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 t -99.8 48.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.56 164.47 0.42 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 135.02 29.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.636 2.224 . . . . 0.0 112.349 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.22 131.3 21.61 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.565 0.698 . . . . 0.0 111.106 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 134.06 27.08 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -145.57 144.43 30.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 p -52.84 171.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -103.48 -3.7 25.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.69 146.82 51.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 116' ' ' ALA . 3.0 p -171.11 142.97 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.49 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 27.2 mt-30 -116.03 147.44 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -129.93 119.31 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 26.6 m-85 -119.27 158.43 26.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -99.2 121.24 40.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -147.73 177.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -117.44 154.56 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CD1' ' CE2' ' A' ' 168' ' ' PHE . 11.0 t80 -110.32 107.03 16.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.489 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.3 mp -70.42 -37.66 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.62 -172.05 22.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -104.96 129.76 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 82' ' ' PRO . 1.4 tm? -126.55 123.67 24.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.58 0.705 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.685 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.78 137.58 35.74 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -119.34 178.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -113.49 -24.19 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -119.53 144.63 37.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -21.97 33.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.609 HG12 ' CB ' ' A' ' 142' ' ' PHE . 23.2 m -144.83 176.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.81 139.49 5.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -72.68 -53.75 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -55.95 -44.39 78.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.3 m -60.5 -55.77 29.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 92' ' ' LEU . 5.6 tt -57.5 -50.28 73.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' N ' HD23 ' A' ' 92' ' ' LEU . 67.6 m-20 -62.32 -36.94 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.6 t -51.93 -37.11 51.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -70.71 -46.91 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.508 ' HA ' HG21 ' A' ' 167' ' ' VAL . 91.7 mt -40.67 -58.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.84 -47.14 85.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 101' ' ' THR . 10.3 t-20 -47.31 -47.71 25.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 81' ' ' LEU . 58.7 mt -74.91 -48.54 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 mtt -44.0 -39.27 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 98' ' ' ASN . 14.6 t -80.49 -25.0 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' LEU . 32.5 t -69.24 -39.48 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -135.1 160.43 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.485 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.2 t -79.6 173.28 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -71.94 -12.83 61.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -95.82 -37.81 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.39 -24.89 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.489 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 8.8 m0 -71.24 116.11 43.62 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.95 22.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.733 2.289 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.4 m -66.98 104.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 m -107.29 167.26 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -115.97 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 22.5 tpp -87.39 113.33 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.423 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 16.8 t-20 -98.96 98.28 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.78 99.04 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.617 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -139.25 132.31 29.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 t70 55.2 37.45 28.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 64.03 36.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 136' ' ' ARG . 50.3 m -126.59 114.78 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.99 96.4 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.1 m -109.56 110.88 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 93.4 t -77.46 91.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.7 mm -88.35 142.13 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -62.73 160.39 14.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.38 -28.09 27.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -98.49 4.58 48.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -148.43 163.64 36.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.94 -13.35 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.45 16.03 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' VAL . 10.9 tp10 -77.5 -31.09 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.4 p 34.1 47.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' VAL . 75.5 mt -35.55 -43.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 67.6 t -142.29 135.04 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -115.31 99.71 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -114.43 149.11 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.593 ' HG2' HG23 ' A' ' 119' ' ' THR . 25.6 mtp180 -136.42 147.45 47.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 118' ' ' ALA . 5.4 t -72.24 -2.14 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -75.23 -35.31 61.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 136' ' ' ARG . 34.4 p90 -120.49 23.64 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 143' ' ' MET . 8.6 tt -78.71 85.23 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.6 p -39.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.609 ' CB ' HG12 ' A' ' 87' ' ' VAL . 12.0 t80 -151.03 152.27 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.56 ' HB3' HD21 ' A' ' 140' ' ' LEU . 2.6 ptt? -134.66 149.8 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.8 167.72 40.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.1 m -101.77 165.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.11 -173.47 40.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -39.99 -37.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -110.85 127.15 55.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.656 HG11 HD13 ' A' ' 18' ' ' LEU . 22.6 m -49.39 -19.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.517 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 26.0 m80 -63.84 -37.68 88.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.4 p -83.92 127.36 33.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -133.47 115.21 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.2 173.7 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.5 p90 -164.17 145.06 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 164' ' ' GLU . 66.3 mt -99.74 138.7 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.8 ptm -149.07 156.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.14 136.6 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 31.8 p -124.02 18.68 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 106.82 148.6 15.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 162' ' ' ARG . 35.4 m-20 65.01 50.05 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 161' ' ' GLN . 0.3 OUTLIER 35.17 31.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 160' ' ' ASN . 17.0 mmt180 -92.96 150.93 20.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -126.91 122.89 35.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 155' ' ' ILE . 15.3 mm-40 -107.13 169.35 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.85 100.12 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -93.93 124.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 96' ' ' ILE . 15.2 t -105.98 154.68 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.452 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 89.3 m-85 -155.14 143.58 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.517 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 30.3 t-105 -99.76 130.78 46.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.4 m -114.03 163.04 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.544 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 61.6 mt-10 -150.7 136.95 10.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.76 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.321 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -125.52 159.41 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -83.25 36.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.692 ' HB1' ' OE1' ' A' ' 14' ' ' GLU . . . -82.81 -44.97 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -74.08 -46.12 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.11 -60.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.8 p -51.92 -39.28 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.4 -44.48 95.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.21 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.02 -37.36 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -61.06 -49.04 78.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.08 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -64.8 -40.15 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -157.72 106.37 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -146.84 147.47 30.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.56 -150.8 17.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p 42.14 43.3 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -43.16 -59.88 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 88.89 67.51 1.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 62.7 m-20 -164.56 149.82 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.65 -68.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.75 118.29 26.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -81.12 148.73 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 p -64.41 150.68 92.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.9 27.23 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.68 -38.96 13.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -71.46 -50.9 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -59.84 -15.02 17.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -88.45 -40.08 13.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 175' ' ' ALA . 29.0 mt -77.25 -42.16 38.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 m -39.9 -55.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -53.96 -53.24 55.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.5 mmt -47.69 -22.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.482 ' CD ' HG23 ' A' ' 145' ' ' VAL . 13.4 mm-40 -95.96 -38.46 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.34 -64.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -124.09 -40.73 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.95 -154.24 16.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 182' ' ' GLN . 33.1 t80 -140.22 107.33 5.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -89.31 149.58 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 49.9 t-20 -91.07 113.71 59.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.95 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.457 HG21 ' HE ' ' A' ' 138' ' ' ARG . 63.5 m -42.57 -43.64 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -55.77 10.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -50.7 -33.53 23.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -38.71 -66.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.98 48.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' CD ' ' O ' ' A' ' 35' ' ' GLU . 2.1 pp20? -77.24 47.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -111.61 100.97 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 mtm -117.6 88.31 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -172.09 146.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -91.35 120.7 32.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -129.32 167.54 17.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.45 88.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 135.06 29.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 t -110.86 178.82 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.9 t -169.1 173.58 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.09 155.08 26.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.8 pt -138.85 138.77 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 111.11 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -107.53 157.58 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.25 129.2 3.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -51.19 102.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.13 -177.73 26.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.6 m -152.6 172.38 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 t -173.84 143.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.89 169.98 19.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.5 p -160.63 156.15 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t -161.23 167.93 25.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.58 159.63 10.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 m -153.48 122.64 6.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -117.89 90.68 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.25 173.11 51.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.7 p -164.72 173.73 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 m -95.59 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.43 160.92 28.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.65 26.88 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.37 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.641 HG23 ' HD2' ' A' ' 65' ' ' PRO . 88.1 m -108.89 138.62 20.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.723 . . . . 0.0 111.144 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.641 ' HD2' HG23 ' A' ' 64' ' ' THR . 54.0 Cg_endo -69.76 -173.08 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.737 2.292 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 167.05 13.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.0 t -99.5 138.9 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -111.12 111.58 22.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -51.15 179.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG21 ' OD1' ' A' ' 114' ' ' ASN . 2.2 p -117.09 149.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -114.69 126.3 54.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -120.71 161.72 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.49 120.31 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.85 -176.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -121.73 160.85 23.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.91 111.96 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.8 mp -72.22 -43.66 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.03 -175.99 28.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.44 ' HG2' ' CD ' ' A' ' 164' ' ' GLU . 11.7 ttp -99.4 118.99 37.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -129.38 114.9 18.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.967 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.77 161.51 45.66 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.16 164.86 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -89.58 -31.22 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.72 152.5 77.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -20.4 34.72 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.635 HG12 ' CB ' ' A' ' 142' ' ' PHE . 26.3 m -139.53 176.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.02 125.07 4.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -59.68 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -44.66 -36.37 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.7 m -73.71 -53.39 10.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.8 -52.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' SER . 25.7 m-20 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 47.2 t -36.74 -45.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -61.1 -56.87 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' ALA . 69.2 mt -36.37 -53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.42 ' CD ' ' H ' ' A' ' 97' ' ' GLU . 5.7 mp0 -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -44.61 -53.65 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 81' ' ' LEU . 54.6 mt -69.87 -42.32 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.7 mmt -46.25 -51.73 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -78.25 -19.33 53.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -62.6 -48.3 80.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -136.31 179.02 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.3 m -95.85 166.69 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.594 ' HD2' ' CZ3' ' A' ' 108' ' ' TRP . 17.6 tptp -61.87 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -73.29 -29.15 62.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -67.09 -21.01 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CZ3' ' HD2' ' A' ' 105' ' ' LYS . 13.7 m0 -78.7 115.49 52.23 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.56 0.695 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.98 46.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.9 m -70.49 131.49 44.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.61 162.83 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -115.72 130.19 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 27.8 tpp -85.71 106.5 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.439 ' OD1' HG21 ' A' ' 70' ' ' VAL . 30.6 t30 -95.33 97.64 9.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.22 103.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.31 141.04 35.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 49.75 41.8 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 59.26 36.8 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.4 m -128.4 119.75 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.47 102.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -116.69 117.75 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 65.2 t -86.26 106.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.4 mm -99.64 143.57 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -79.36 148.68 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -41.58 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -59.87 -59.25 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -122.65 145.65 48.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 1.8 mp0 -88.55 -20.39 25.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -95.01 36.13 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.515 ' OE2' HD23 ' A' ' 132' ' ' LEU . 21.0 tp10 -104.22 -30.7 10.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.2 p 35.08 52.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.515 HD23 ' OE2' ' A' ' 130' ' ' GLU . 74.1 mt -36.65 -43.23 0.4 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.9 t -142.81 134.73 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -121.03 103.48 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -120.09 140.16 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -116.72 123.59 47.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 118' ' ' ALA . 60.2 t -42.92 -43.15 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.457 ' HE ' HG21 ' A' ' 30' ' ' THR . 16.0 mmp_? -49.2 -45.63 44.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.06 -34.78 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.428 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.0 tt -46.54 125.94 7.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.418 ' N ' HD23 ' A' ' 140' ' ' LEU . 30.7 p -95.59 -59.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.635 ' CB ' HG12 ' A' ' 87' ' ' VAL . 30.6 t80 -144.72 153.67 41.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -153.78 163.91 39.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.04 -167.15 35.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.482 HG23 ' CD ' ' A' ' 22' ' ' GLN . 17.4 m -119.62 156.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -90.14 178.13 43.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.7 OUTLIER -34.59 -42.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -103.79 115.33 30.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.0 m -42.47 -37.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -45.65 -41.08 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 35.9 p -78.27 135.79 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.09 117.04 11.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -130.18 165.1 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -152.07 145.18 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 72.6 mt -95.78 124.84 48.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.1 ptm -125.88 166.51 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 123.78 50.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.3 p -101.21 -10.24 20.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -148.03 -141.16 3.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -81.35 -67.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.319 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -111.15 17.62 20.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.428 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 3.4 mmp_? -95.34 137.18 34.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -137.49 117.24 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.628 ' OE1' ' CE1' ' A' ' 166' ' ' HIS . 4.1 tm-20 -106.98 156.35 18.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 164' ' ' GLU . 4.6 t -125.04 125.33 43.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.628 ' CE1' ' OE1' ' A' ' 164' ' ' GLU . 66.7 m80 -113.74 113.06 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 153' ' ' ALA . 24.8 t -90.19 149.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -147.43 138.3 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.495 ' CE2' ' HE2' ' A' ' 105' ' ' LYS . 51.1 t-105 -91.35 134.08 34.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 174' ' ' ALA . 75.8 m -111.11 150.16 29.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.7 mt-10 -137.47 127.34 15.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -49.96 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.307 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' A' ' 175' ' ' ALA . 35.5 p-10 -123.1 169.52 11.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 170' ' ' CYS . . . -93.46 36.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.491 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -69.53 -45.99 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -79.92 -54.52 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 86.1 t -43.31 -62.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.2 t -60.71 -28.96 69.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.31 -29.18 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -73.27 -52.24 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.55 -35.62 73.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.569 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 33.4 tt0 -57.49 -47.6 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -45.82 -41.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -113.84 -54.36 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.89 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -58.9 120.02 8.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.06 84.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -138.65 132.4 30.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -142.34 161.32 38.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.24 143.67 17.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -146.34 138.94 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.25 -56.79 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.07 117.46 34.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.03 152.64 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.3 p -77.23 151.18 81.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -7.65 21.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -95.37 -52.13 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.48 -51.58 53.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -43.64 -58.21 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -47.71 -52.56 17.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 175' ' ' ALA . 13.7 mt -57.38 -52.83 63.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' LEU . 64.8 m -35.13 -49.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -56.69 -46.6 81.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 mtt -53.94 -38.92 65.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.458 ' HG2' HG23 ' A' ' 145' ' ' VAL . 80.2 mt-30 -68.37 -41.18 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -49.59 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -130.04 -41.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.77 177.12 18.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -130.68 95.74 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -72.61 176.98 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.916 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.431 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 37.2 t30 -97.83 107.48 40.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 53.2 Cg_endo -69.77 -27.0 26.94 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 p -67.65 -43.12 81.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -58.31 -57.86 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -27.07 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.929 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.3 -55.13 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.78 -44.96 82.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 35' ' ' GLU . 1.2 pp20? -82.02 41.3 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 37' ' ' MET . 24.7 tp60 -86.99 143.1 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.406 ' N ' ' HG3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -71.61 90.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -78.4 154.62 30.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -126.79 146.08 50.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.1 t -174.58 159.58 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 76.94 0.74 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -42.76 3.16 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.7 t -116.28 149.63 38.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.6 p -50.83 -45.82 59.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.15 157.13 11.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.8 mt -83.16 74.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.88 101.16 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.02 179.37 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.55 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -77.95 -44.99 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.64 142.42 46.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 82.3 p -68.99 125.32 26.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -159.76 149.38 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.14 -179.69 40.78 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 m -60.76 144.61 52.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 m -42.71 -51.81 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.76 63.48 0.4 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -134.98 106.26 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.2 p -113.53 157.25 22.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.76 152.06 12.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -174.16 148.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -103.29 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.67 139.57 5.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 132.73 23.98 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 3.0 m -123.27 134.84 25.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.538 0.685 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 53.7 Cg_endo -69.81 162.64 41.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -151.29 135.0 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.3 t -86.23 163.1 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -114.85 24.43 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -140.67 173.39 11.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 116' ' ' ALA . 3.2 p -166.23 146.63 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.148 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -107.52 142.55 37.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -132.64 109.9 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.68 152.4 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.517 ' O ' HG13 ' A' ' 75' ' ' VAL . 3.1 tmt_? -92.21 128.59 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 74' ' ' ARG . 28.4 m -160.31 175.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -120.28 152.62 37.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -103.74 117.95 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.03 -57.5 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.16 -171.02 42.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.472 ' HE1' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -109.42 100.28 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.735 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -106.01 122.58 41.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.675 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.74 156.59 63.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.459 HG13 ' HB2' ' A' ' 165' ' ' CYS . 11.4 m -128.29 153.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -85.42 -30.61 23.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -124.46 150.48 64.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.08 30.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.882 HG12 ' HB2' ' A' ' 142' ' ' PHE . 23.8 m -140.71 164.98 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.62 121.26 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmt -53.97 -57.92 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.319 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.38 -46.78 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.2 m -61.16 -43.77 98.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.712 HD13 ' HE2' ' A' ' 142' ' ' PHE . 5.3 tp -60.95 -54.62 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.33 -53.44 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -38.55 -46.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.7 -55.12 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' HA ' HG21 ' A' ' 167' ' ' VAL . 59.9 mt -38.23 -68.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.97 -52.67 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.98 -42.37 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 81' ' ' LEU . 84.1 mt -80.92 -40.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 12.1 mtp -49.68 -45.72 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 t -77.69 -29.66 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.1 m -61.27 -51.93 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -118.82 177.82 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -101.85 156.8 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 66.2 tttt -52.41 -45.28 65.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -43.73 -39.48 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 9.2 m0 -56.08 123.07 52.03 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 140.68 43.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.353 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.5 p -67.36 119.46 12.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.452 HG23 HG23 ' A' ' 75' ' ' VAL . 30.6 m -131.13 173.28 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -131.87 152.83 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.1 ttm -101.13 104.2 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 31.4 t-20 -90.39 97.05 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.3 110.1 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.579 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -150.93 126.86 10.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.1 t0 62.65 37.35 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 62.0 43.16 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -132.3 115.53 15.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.9 t -90.1 101.13 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.7 m -116.77 119.22 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.503 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 62.3 t -85.62 105.25 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 131' ' ' VAL . 15.3 mm -103.23 129.88 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -53.26 139.34 29.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -65.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -69.98 -71.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -58.44 131.04 49.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.86 -28.1 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -102.48 40.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.417 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 7.2 tp10 -98.66 -38.43 9.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.6 p 40.67 47.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.417 ' HG ' ' CG ' ' A' ' 130' ' ' GLU . 67.9 mt -37.39 -47.42 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.6 t -134.47 139.33 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -125.06 105.09 8.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.9 t -124.04 151.99 43.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 139' ' ' PHE . 27.1 mtp180 -127.74 128.4 45.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 136' ' ' ARG . 90.9 t -37.47 -47.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -51.39 -43.37 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 22.5 m-85 -74.66 -32.84 62.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 tt -43.06 137.41 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.43 ' OG ' HG22 ' A' ' 155' ' ' ILE . 80.5 p -108.6 -41.95 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.882 ' HB2' HG12 ' A' ' 87' ' ' VAL . 15.0 t80 -155.0 165.12 37.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.565 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 4.5 ptp -159.11 152.14 22.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -178.8 -156.49 17.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 22' ' ' GLN . 12.3 m -138.46 155.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -85.21 -178.89 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.8 mtmm -35.36 -42.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.3 121.7 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.4 ' HB ' HD13 ' A' ' 18' ' ' LEU . 26.3 m -44.22 -26.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -53.95 -41.74 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 76.2 p -84.78 124.71 31.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -128.72 116.88 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.416 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -122.86 166.25 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 20.9 p90 -151.24 137.27 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.43 HG22 ' OG ' ' A' ' 141' ' ' SER . 74.2 mt -96.45 124.93 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.7 ptm -122.17 166.88 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.18 115.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.409 HG21 ' OE1' ' A' ' 164' ' ' GLU . 68.1 p -90.36 -49.87 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -104.29 -147.74 17.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -70.4 -66.54 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -115.5 20.97 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -94.52 142.05 27.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.409 ' OE1' HG21 ' A' ' 158' ' ' THR . 84.1 mt-10 -107.75 146.25 32.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.459 ' HB2' HG13 ' A' ' 83' ' ' VAL . 7.9 t -114.31 116.54 29.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 168' ' ' PHE . 42.3 m80 -109.1 109.72 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' A' ' 96' ' ' ILE . 17.9 t -89.58 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.503 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 95.3 m-85 -143.93 136.97 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -86.19 136.34 33.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.78 148.6 45.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 23.4 mm-40 -139.92 134.13 15.73 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.7 -48.32 0.27 Allowed 'Cis proline' 0 C--N 1.34 0.117 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.347 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -118.13 176.99 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -104.33 38.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.576 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -83.23 -61.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -54.18 -40.01 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.5 t -68.51 -50.93 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.5 m -58.58 -55.0 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -58.23 -38.18 76.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -59.28 -60.31 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 182' ' ' GLN . 14.7 p -61.05 -40.84 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.439 ' N ' HG13 ' A' ' 181' ' ' VAL . 11.8 tt0 -58.51 -50.69 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.49 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.27 98.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 99.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -121.34 42.47 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m 45.16 43.26 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.15 101.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -150.14 140.95 22.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -167.2 171.53 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.15 125.04 4.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.16 143.22 50.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -172.87 175.11 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.87 115.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p -98.77 149.86 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -83.02 152.65 65.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -8.07 22.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.641 2.227 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -94.99 -55.85 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' LEU . 40.3 mt-10 -44.01 -44.81 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' GLU . 20.6 mmm180 -37.6 -40.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -71.89 -42.81 66.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.56 HD13 ' HB ' ' A' ' 149' ' ' VAL . 17.7 mt -64.27 -51.55 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' GLN . 16.3 m -40.36 -51.29 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -40.49 -40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.54 ' HE1' ' HB3' ' A' ' 178' ' ' SER . 6.5 mtt -61.33 -39.29 89.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' SER . 94.4 mt-30 -72.31 -27.1 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -60.33 -63.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -124.07 -48.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.59 -176.64 16.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 182' ' ' GLN . 31.7 t80 -122.42 102.57 8.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -85.45 158.3 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -101.09 113.75 65.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -42.15 3.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.297 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.4 m -52.53 -44.16 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -64.57 -47.21 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -90.87 52.8 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -129.57 -51.36 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -79.7 -35.98 38.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.64 -42.75 84.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -45.23 135.23 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.35 134.85 49.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -100.94 100.91 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -71.85 175.23 5.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.0 p -162.61 149.14 12.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.95 72.89 0.43 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -6.89 19.7 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.692 2.261 . . . . 0.0 112.294 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -102.93 85.53 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 t -43.79 -62.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.81 -179.11 1.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 pt -144.63 141.74 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.38 175.62 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.07 106.21 1.4 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -136.08 -179.03 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.91 174.74 4.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.5 m -129.96 167.24 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.2 m -113.94 167.99 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.78 -168.64 13.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 p -169.01 156.68 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -164.97 167.58 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.23 175.04 31.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -156.34 159.61 38.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.5 m -149.18 152.57 36.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.88 114.48 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.546 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -122.53 159.91 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.2 p -156.5 -177.41 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.87 141.16 5.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 169.78 18.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.9 p -42.05 128.68 2.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.518 0.675 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -166.22 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.96 33.66 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.9 m -67.11 128.19 35.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -124.74 -7.84 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.8 mt -114.45 154.06 28.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 p -168.23 135.21 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 27.0 mt-30 -104.03 119.94 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -107.8 120.33 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 94.7 m-85 -116.97 153.43 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -99.16 118.12 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -150.59 171.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -107.9 162.29 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -118.87 106.52 12.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.3 mp -69.42 -36.73 76.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.9 -172.88 22.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.521 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.3 ttp -99.58 139.01 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -141.77 117.8 7.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.949 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.486 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.79 147.87 63.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 m -123.86 177.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -107.02 -28.43 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -122.69 146.22 47.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.457 ' O ' HG21 ' A' ' 155' ' ' ILE . 54.2 Cg_endo -69.73 -19.99 35.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.617 HG12 ' HB3' ' A' ' 142' ' ' PHE . 20.2 m -141.69 167.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.5 124.45 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.9 mmm -59.41 -52.6 64.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.39 -47.46 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.5 m -57.63 -56.93 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 93' ' ' ASN . 7.0 tt -61.47 -62.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.577 ' N ' HD23 ' A' ' 92' ' ' LEU . 15.9 m-20 -43.2 -43.84 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -48.04 -48.93 32.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -55.33 -46.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.604 ' HA ' HG21 ' A' ' 167' ' ' VAL . 68.7 mt -46.54 -52.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.75 -35.74 82.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.9 -45.84 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.497 ' CD2' HD23 ' A' ' 81' ' ' LEU . 84.6 mt -76.87 -39.74 50.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.1 mtt -48.73 -50.39 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 t -72.15 -18.2 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t -70.23 -50.03 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.6 m -127.27 165.93 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.6 m -88.21 157.6 18.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.487 ' HA ' ' CE3' ' A' ' 108' ' ' TRP . 58.8 tttt -49.62 -46.8 49.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.6 -44.99 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.33 -26.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.487 ' CE3' ' HA ' ' A' ' 105' ' ' LYS . 31.0 m0 -66.86 121.33 77.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 122.2 8.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.1 m -63.01 108.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.4 m -111.08 170.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -118.34 141.21 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.8 tpp -96.06 108.65 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -95.61 99.11 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.02 108.89 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.48 134.8 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 t70 56.28 37.37 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.443 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 65.44 32.26 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 84.7 m -121.74 120.79 35.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.76 99.66 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.524 ' CG2' HG23 ' A' ' 131' ' ' VAL . 24.5 m -114.86 120.45 40.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -85.16 94.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.2 mm -89.78 136.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.3 t -50.54 168.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.34 -49.61 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -113.55 -59.54 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.83 108.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 2.1 tp10 -86.49 -13.95 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.73 19.13 20.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -87.83 -42.55 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.4 p 39.52 48.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -33.44 -39.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 131' ' ' VAL . 53.8 t -146.69 138.49 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -122.61 99.52 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 49.9 t -114.81 150.36 35.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 137' ' ' VAL . 65.0 mtt180 -130.15 119.36 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 136' ' ' ARG . 90.9 t -35.11 -51.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -39.52 -48.74 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.94 -35.67 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 141' ' ' SER . 3.8 tt -43.9 138.38 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 140' ' ' LEU . 86.1 p -113.07 -40.13 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 143' ' ' MET . 0.0 OUTLIER -160.44 166.72 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.682 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 9.7 ptt? -165.5 154.53 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.02 175.62 45.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.96 157.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -89.3 -157.94 33.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -50.29 -53.47 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.71 117.08 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.56 ' HB ' HD13 ' A' ' 18' ' ' LEU . 28.1 m -49.25 -26.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -51.98 -27.95 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 50.1 p -99.51 133.85 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -131.37 121.26 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.576 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -130.94 154.86 47.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -141.41 147.82 38.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' A' ' 142' ' ' PHE . 69.3 mt -97.64 115.61 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 14.6 ptm -115.42 162.38 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.06 116.34 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 46.2 p -94.13 -55.94 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -82.27 -142.29 4.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.551 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -85.58 -51.47 6.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 0.0 110.812 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -127.72 9.95 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.434 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.2 mpt_? -79.14 154.55 29.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.13 118.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.434 ' OE2' ' C ' ' A' ' 81' ' ' LEU . 14.3 tp10 -107.3 153.99 21.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.0 t -124.11 125.86 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -120.05 127.11 52.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.604 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.2 t -97.0 156.77 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -155.68 132.25 10.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -85.55 139.29 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 85.8 m -125.65 153.9 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 77.2 mt-10 -144.25 130.81 10.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.74 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.297 0.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -120.41 177.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.539 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -95.15 26.58 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -73.71 -58.14 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.22 -22.14 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.4 t -86.64 -55.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' SER . . . . . 0.54 ' HB3' ' HE1' ' A' ' 21' ' ' MET . 7.1 m -54.27 -47.27 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.93 -33.49 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -67.91 -49.79 59.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.38 -33.17 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.414 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 37.0 mt-30 -60.71 -52.59 64.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.64 38.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -44.0 -41.62 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 m -104.35 157.78 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -148.06 129.47 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.31 -144.72 4.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -62.79 162.54 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -119.28 -52.99 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.0 109.94 1.98 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -145.86 131.08 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.29 -60.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.91 138.71 31.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.93 139.19 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -70.93 152.88 94.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.618 0.723 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.28 25.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.238 . . . . 0.0 112.355 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -96.15 -36.8 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -67.15 -41.0 86.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -50.44 -60.54 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -50.93 -36.82 40.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.5 mt -68.45 -45.31 72.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -45.48 -42.71 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -54.09 -54.4 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.4 mmt -46.58 -26.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -92.51 -29.63 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.41 -74.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -113.41 -36.01 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.84 166.61 25.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE2' ' CG ' ' A' ' 182' ' ' GLN . 29.5 t80 -104.43 92.83 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.637 ' OE2' HG11 ' A' ' 87' ' ' VAL . 3.2 mm-40 -77.3 169.34 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -113.78 111.78 48.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.41 10.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.1 m -53.98 -40.66 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -59.17 -53.6 56.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HA ' ' CE ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -81.59 50.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -120.03 -47.36 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -83.43 -25.88 30.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -89.97 51.86 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -91.47 70.16 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.2 tpp -87.33 118.87 27.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' ASN . 80.7 mt-30 -120.35 143.11 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLN . 13.1 m-20 -37.04 126.63 0.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -105.0 -45.71 4.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.13 -164.62 13.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 110.98 2.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -81.02 104.52 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.5 t -142.66 130.93 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.39 123.12 16.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.621 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.7 pp -103.49 21.37 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -146.89 162.29 38.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.31 96.41 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -74.47 105.57 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.05 -99.79 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.1 t -143.13 159.62 41.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.1 p -152.26 177.28 10.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.78 75.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.419 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -143.69 157.53 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -109.81 142.25 41.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.07 55.92 0.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.0 p -53.77 143.72 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 m -146.56 171.5 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.26 172.78 30.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 t -149.34 133.9 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -157.12 105.99 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.12 158.86 18.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 81.92 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.1 p -61.62 147.01 89.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.571 0.7 . . . . 0.0 111.162 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 121.63 8.31 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 170.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 m -158.24 119.04 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -110.85 -3.35 15.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.566 ' H ' HD23 ' A' ' 69' ' ' LEU . 2.5 pt? -120.28 157.4 29.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.627 HG21 ' OD1' ' A' ' 114' ' ' ASN . 1.8 p -158.41 147.57 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 15.9 mt-30 -96.87 129.18 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.24 119.38 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 71' ' ' GLN . 36.0 m-85 -125.02 120.66 32.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.589 ' O ' HG13 ' A' ' 75' ' ' VAL . 4.1 tpp85 -66.86 139.68 57.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 74' ' ' ARG . 18.9 m -161.8 -176.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -126.27 139.31 53.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -100.69 102.91 14.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.4 mp -65.76 -34.55 78.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.18 173.95 13.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.515 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 7.0 tmm? -86.48 138.22 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.501 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -138.85 114.72 8.62 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.501 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.71 145.52 57.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -127.33 161.67 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.86 -30.53 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -114.99 144.42 32.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' O ' HG21 ' A' ' 155' ' ' ILE . 53.5 Cg_endo -69.8 -21.17 33.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.825 HG12 ' HB3' ' A' ' 142' ' ' PHE . 35.0 m -141.76 -178.21 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.47 139.52 7.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.77 -42.96 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.53 -24.62 65.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -88.55 -45.89 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 153' ' ' ALA . 8.9 tt -59.1 -54.42 47.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.505 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.9 m-80 -54.44 -49.99 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 t -40.9 -49.79 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.96 -57.89 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' A' ' 167' ' ' VAL . 81.0 mt -37.84 -51.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -61.86 -47.7 83.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.57 ' O ' HG22 ' A' ' 101' ' ' THR . 7.5 t-20 -44.31 -53.39 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.2 mt -73.54 -49.37 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.0 mtt -40.89 -40.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 98' ' ' ASN . 15.4 t -82.03 -28.83 32.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 99' ' ' LEU . 53.3 m -56.3 -53.62 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 p -129.22 -179.19 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 11.2 m -90.48 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.403 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 43.1 tttm -54.11 -47.88 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.0 -30.61 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -57.11 -26.61 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 7.6 m0 -69.77 128.92 91.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 122.0 8.67 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.56 112.04 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.3 m -112.45 166.69 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.94 140.46 45.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 45.5 ttm -95.68 99.19 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.627 ' OD1' HG21 ' A' ' 70' ' ' VAL . 31.3 t30 -86.39 96.31 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.4 t -94.87 103.94 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.455 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -143.52 150.25 38.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.7 t70 40.78 49.46 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 47.87 40.75 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.6 m -133.44 117.07 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 135' ' ' CYS . 78.7 t -84.66 112.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.1 m -121.52 131.85 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.92 94.81 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.9 mm -92.44 134.0 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -55.65 165.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -71.37 -49.15 45.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -82.93 -68.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.3 156.91 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -32.19 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.54 15.34 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 131' ' ' VAL . 7.1 tp10 -73.36 -36.81 66.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.3 p 35.63 50.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 82.2 mt -34.67 -47.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.4 t -136.42 144.72 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -128.01 98.49 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 120' ' ' VAL . 7.7 t -116.56 140.43 49.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -114.48 128.58 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.0 -35.56 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -58.03 -38.11 75.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -88.54 -10.71 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.88 113.98 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.9 p -77.76 -57.28 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.825 ' HB3' HG12 ' A' ' 87' ' ' VAL . 4.0 t80 -152.8 149.61 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.45 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.1 ptt? -137.98 151.16 47.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.8 -169.11 29.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.537 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.83 144.5 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -68.29 -173.47 7.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -28.72 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -115.5 122.54 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 150' ' ' HIS . 32.9 m -44.23 -40.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.525 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 71.0 m80 -44.05 -41.65 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 54.5 p -82.25 128.91 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -134.71 113.9 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' A' ' 167' ' ' VAL . . . -126.29 166.14 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -151.13 148.27 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.421 HG21 ' O ' ' A' ' 86' ' ' PRO . 76.6 mt -98.47 126.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -128.72 167.79 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.98 141.82 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 33.5 p -109.72 -48.58 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 173.81 151.96 8.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 68.28 34.36 3.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 62.54 27.47 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -89.99 153.67 20.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.441 ' C ' ' OE1' ' A' ' 164' ' ' GLU . 2.7 m-85 -134.4 127.7 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 164' ' ' GLU . 1.6 mp0 -114.09 151.05 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 53.3 t -113.45 123.67 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.515 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 96.6 m-70 -118.68 114.46 22.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.52 HG21 ' HA ' ' A' ' 96' ' ' ILE . 21.4 t -91.39 147.75 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -148.48 127.43 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.525 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 31.5 t-105 -86.16 132.71 33.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.462 ' SG ' HG21 ' A' ' 177' ' ' VAL . 54.7 m -107.38 156.28 19.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 26.5 mt-10 -143.37 126.98 9.2 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.74 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.69 -50.69 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.745 -1.773 . . . . 0.0 112.338 -0.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -118.85 173.35 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -96.0 33.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.33 -51.54 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -72.16 -39.66 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.462 HG21 ' SG ' ' A' ' 170' ' ' CYS . 75.7 t -65.47 -61.64 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.6 t -55.91 -28.33 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.36 -50.65 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.27 -53.45 28.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.39 -37.73 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.485 ' CG ' ' CE2' ' A' ' 26' ' ' TYR . 11.7 tt0 -61.74 -58.92 6.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.11 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -51.57 -42.3 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p -85.33 169.84 13.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -121.84 172.36 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.13 105.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p -90.3 161.39 15.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -144.67 171.59 14.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.01 157.15 7.58 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -96.06 104.72 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.48 134.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 117.01 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.8 145.44 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 p -87.72 151.01 49.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -6.64 19.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.56 -32.21 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -76.15 -48.91 18.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -39.03 -37.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -81.65 -40.66 22.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 HG11 ' A' ' 149' ' ' VAL . 21.1 mt -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.1 p -40.97 -42.48 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.82 -50.61 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.7 mmt -48.03 -33.84 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -78.54 -26.21 45.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -64.25 -62.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -126.65 -39.85 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.0 -174.35 21.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 182' ' ' GLN . 3.1 t80 -119.65 102.47 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -87.29 169.77 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -117.22 116.98 37.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -32.08 19.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.9 m -40.23 -53.08 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -61.45 -50.73 71.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -43.51 -52.34 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' LYS . 18.1 t80 -35.52 -64.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -54.19 -39.2 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' LYS . 23.2 mm-40 -86.28 51.08 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -90.36 148.97 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -33.38 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -65.82 114.29 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -125.59 120.73 31.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -142.41 166.36 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.38 69.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 128.85 16.61 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.278 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 p -64.89 124.08 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 p -139.39 175.77 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.03 51.46 0.88 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.9 mt -145.95 130.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.748 0.309 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.17 125.18 49.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.03 -102.55 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -147.8 163.74 35.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.66 134.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.452 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.6 p -159.91 126.06 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -95.75 -50.58 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.89 104.76 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 t -155.5 111.15 3.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.868 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -121.44 164.11 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -130.64 117.97 2.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -92.4 55.81 2.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.8 t -88.69 118.19 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.32 157.6 16.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -112.05 163.76 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m -154.64 149.28 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -116.67 147.93 18.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -178.57 2.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.738 2.292 . . . . 0.0 112.337 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 130.05 93.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 111.131 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.91 26.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -89.22 165.6 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -95.2 142.32 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -120.73 121.32 37.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.9 mt -48.37 177.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.876 HG23 ' HB2' ' A' ' 116' ' ' ALA . 7.9 p -127.29 144.71 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -109.16 123.2 48.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.93 118.72 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -112.29 157.15 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -101.11 116.14 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.19 165.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -105.74 155.14 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -106.54 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.5 mp -66.67 -50.59 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 155.2 -178.53 31.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 23.8 ttp -100.76 141.68 33.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -145.27 122.87 6.32 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.8 136.38 32.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.312 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -108.57 156.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.45 -25.7 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -124.4 149.19 60.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.95 28.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -140.35 176.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.99 136.75 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.598 ' CE ' HD22 ' A' ' 92' ' ' LEU . 3.8 mmt -68.41 -58.27 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -41.84 -40.78 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -68.51 -33.21 73.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.598 HD22 ' CE ' ' A' ' 89' ' ' MET . 4.7 tp -68.62 -57.77 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -53.88 -49.65 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -39.99 -53.64 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -61.0 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.404 ' HA ' HG21 ' A' ' 167' ' ' VAL . 61.1 mt -53.76 -57.59 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.05 -32.83 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.2 -52.67 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.86 -38.97 69.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.1 mmt -46.92 -51.13 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.2 t -77.32 -20.16 55.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.9 t -66.75 -52.72 41.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.8 m -125.88 165.83 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 4.9 m -85.19 169.25 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.48 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.0 tttm -64.07 -35.92 82.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.59 -37.03 65.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.72 -36.5 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 9.4 m0 -57.18 115.57 10.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.559 0.695 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.35 30.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.9 p -64.33 119.29 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.9 m -127.71 177.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -132.26 145.01 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 29.0 tpp -96.81 102.48 14.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -87.59 96.98 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 65.3 t -101.4 100.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.876 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -141.69 140.99 33.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t0 47.65 45.86 17.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.08 41.05 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -129.31 123.95 33.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -100.92 96.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 m -114.59 117.23 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.616 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 56.1 t -85.68 96.4 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.8 mm -90.23 139.17 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.6 t -69.69 147.34 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.35 -37.51 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -71.3 -47.69 55.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -118.36 138.72 52.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.83 -37.91 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.85 19.68 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' VAL . 5.4 tp10 -81.8 -30.45 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 131' ' ' VAL . 11.8 p 33.35 50.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -35.92 -53.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.46 133.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -119.11 103.6 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.3 t -116.39 149.25 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 21.6 mtm180 -127.63 116.11 19.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 136' ' ' ARG . 43.3 t -36.31 -41.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -45.72 -47.91 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -80.1 -34.73 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.6 tt -40.55 130.08 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.0 p -98.16 -56.5 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 143' ' ' MET . 11.4 t80 -148.95 155.39 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.43 ' HE1' ' HA ' ' A' ' 182' ' ' GLN . 17.0 ptt? -151.75 146.0 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -162.23 -167.49 22.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 11.6 m -119.18 160.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.61 -171.15 43.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 148' ' ' ASP . 39.2 pttt -38.77 -46.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 147' ' ' LYS . 6.1 m-20 -104.09 127.72 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 150' ' ' HIS . 30.3 m -46.56 -46.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.503 ' N ' HG23 ' A' ' 149' ' ' VAL . 51.4 m80 -38.37 -45.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 52.1 p -77.09 135.73 38.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -139.48 122.66 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -134.83 153.95 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -140.9 148.19 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 70.2 mt -100.24 136.41 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.4 ptm -140.05 153.25 46.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.14 133.51 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 66.0 p -124.73 -33.1 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.481 ' HA3' ' NE ' ' A' ' 162' ' ' ARG . . . -126.9 -145.51 6.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ASN . . . . . 0.461 ' N ' ' HD3' ' A' ' 162' ' ' ARG . 50.8 m-20 -73.54 -72.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -117.08 12.36 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.481 ' NE ' ' HA3' ' A' ' 159' ' ' GLY . 0.0 OUTLIER -110.21 147.48 33.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.97 158.29 44.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -117.58 149.27 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.45 106.4 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -91.9 113.0 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.404 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.3 t -90.5 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.616 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 89.1 m-85 -152.5 140.02 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -93.02 139.38 30.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.58 ' SG ' HG21 ' A' ' 177' ' ' VAL . 77.5 m -122.0 149.05 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 2.3 mp0 -137.74 132.62 17.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.661 0.743 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.72 -50.45 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.358 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -123.69 166.73 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.29 39.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -78.62 -50.19 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -74.17 -35.73 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.58 HG21 ' SG ' ' A' ' 170' ' ' CYS . 53.8 t -63.36 -59.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.3 m -59.83 -18.64 45.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -44.78 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.04 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 177' ' ' VAL . 7.1 p -60.69 -48.58 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 6.3 pt20 -66.71 -21.33 66.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.85 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -80.4 -37.02 32.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -101.31 131.09 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 p -63.97 150.11 45.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.75 -92.12 2.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -132.78 149.9 52.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -112.61 135.31 53.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.23 -105.1 2.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 61.58 39.11 15.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.327 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 45.67 41.64 7.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.03 122.31 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.3 138.53 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -73.17 151.72 90.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.57 0.7 . . . . 0.0 111.142 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -6.88 19.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -96.56 -30.17 13.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -75.35 -36.79 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -56.82 -40.77 76.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -80.72 -40.25 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' MET . 40.0 mt -61.28 -56.66 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 83.1 p -37.12 -41.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -55.39 -46.64 76.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' LEU . 13.1 mmt -52.61 -22.49 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.02 -40.22 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -53.74 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -113.17 -46.24 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.82 -159.52 13.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 25.6 t80 -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -93.79 162.9 13.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -85.38 119.33 72.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -36.76 10.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -67.59 -54.12 22.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.41 -46.95 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 33' ' ' PHE . 5.7 tmmm? -55.21 -56.48 19.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' N ' ' HD2' ' A' ' 32' ' ' LYS . 2.3 t80 -47.7 -53.11 16.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -54.68 -51.07 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -44.98 -59.19 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -94.07 102.33 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.6 ptm -112.16 126.65 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -65.93 120.37 12.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -98.57 95.5 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -83.61 101.58 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.71 70.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.8 40.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 p -117.96 127.82 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 t -45.24 -45.2 11.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.98 115.8 1.02 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pt -137.97 139.15 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -81.21 168.0 18.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.09 170.92 24.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.68 83.84 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.92 174.9 41.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -108.74 -59.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.0 p 43.85 43.54 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -111.94 148.16 18.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -152.12 166.87 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.6 p -146.06 176.46 9.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.18 169.78 42.85 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.4 p -89.42 171.04 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.2 m -118.26 40.16 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 50.38 -175.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.1 m -137.26 164.7 27.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.3 p -150.77 170.26 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -139.09 142.28 12.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 173.02 11.56 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -92.93 145.41 30.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.554 0.692 . . . . 0.0 111.191 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 133.72 26.17 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -151.23 128.99 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.0 m -52.02 144.63 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -155.98 131.66 9.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.41 152.69 44.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.629 HG23 ' HB2' ' A' ' 116' ' ' ALA . 8.5 p -119.94 130.13 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 16.2 mt-30 -105.21 122.25 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.07 110.91 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 94.3 m-85 -105.49 154.89 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 119.74 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -149.75 176.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -115.49 153.75 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -107.08 100.08 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.9 mp -62.82 -44.83 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.96 171.85 17.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.451 ' HG2' ' CG ' ' A' ' 164' ' ' GLU . 8.6 ttp -89.23 119.24 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' C ' ' OE2' ' A' ' 164' ' ' GLU . 0.7 OUTLIER -123.99 118.35 26.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.46 56.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.53 166.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.46 -33.06 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -122.0 149.51 54.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -23.21 31.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.604 HG12 ' CB ' ' A' ' 142' ' ' PHE . 21.4 m -136.81 167.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.03 130.59 3.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.69 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -47.74 -47.32 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.9 m -62.15 -41.31 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -65.57 -44.03 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' SER . 1.9 m-80 -63.89 -53.7 46.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' ASN . 8.1 t -35.75 -47.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -56.13 -49.97 72.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.437 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 64.8 mt -47.21 -55.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 101' ' ' THR . 26.2 mt-10 -59.81 -37.9 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.23 -54.74 41.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.96 -38.1 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.2 mtt -52.85 -48.04 67.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 102' ' ' SER . 12.4 t -77.79 -45.43 24.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.515 ' N ' HG23 ' A' ' 101' ' ' THR . 5.2 t -47.12 -46.72 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 99.8 p -121.83 -176.28 3.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.412 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 3.2 p -107.03 158.35 17.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 37.4 tttm -58.7 -18.48 31.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -90.34 -38.42 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.69 -33.69 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 2.4 m0 -62.2 114.63 12.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.525 0.679 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.3 50.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -71.24 107.23 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.0 m -114.11 177.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -131.86 141.58 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.564 ' HG2' HG23 ' A' ' 115' ' ' VAL . 27.7 ttm -93.47 103.8 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -89.76 97.1 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.564 HG23 ' HG2' ' A' ' 113' ' ' MET . 98.5 t -101.63 106.69 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.6 130.27 15.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.3 t0 59.1 43.45 17.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.604 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.05 41.79 26.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 35.0 m -131.07 116.62 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' CYS . 73.0 t -91.04 97.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.702 ' CG2' HG23 ' A' ' 131' ' ' VAL . 27.0 m -116.4 115.85 26.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.59 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 94.2 t -82.61 104.57 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 131' ' ' VAL . 14.9 mm -98.33 140.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -65.42 153.96 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.41 -46.16 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -76.42 -44.65 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.55 135.84 46.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -93.64 -32.63 14.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -94.54 40.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 131' ' ' VAL . 11.6 tp10 -101.61 -30.98 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.702 HG23 ' CG2' ' A' ' 121' ' ' THR . 15.0 p 32.15 49.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' VAL . 78.3 mt -35.82 -47.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 79.3 t -132.81 137.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.92 101.98 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 120' ' ' VAL . 11.5 t -125.17 145.25 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.36 123.15 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 85.1 t -38.77 -40.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -45.7 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 140' ' ' LEU . 22.4 m-85 -78.98 -37.0 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' 140' ' ' LEU . 7.4 tt -36.41 109.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 76.2 p -77.26 -57.91 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.604 ' CB ' HG12 ' A' ' 87' ' ' VAL . 23.3 t80 -148.41 143.79 27.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -139.78 148.58 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -165.24 -156.25 9.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.43 161.93 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.437 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -91.12 -170.15 42.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -46.56 -39.88 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 149' ' ' VAL . 8.3 t0 -108.96 114.91 29.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 150' ' ' HIS . 32.6 m -36.92 -39.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 74.2 m80 -44.7 -47.83 10.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.0 p -77.33 121.53 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -123.7 116.77 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.459 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -123.56 171.58 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 14.1 p90 -162.51 140.3 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 84.5 mt -95.07 130.25 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -124.87 168.37 13.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -119.58 125.17 48.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.5 p -97.24 -30.09 13.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 145.27 162.48 9.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 6.6 t30 67.79 37.47 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 54.47 33.8 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -105.53 147.46 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -134.47 124.45 25.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.451 ' CG ' ' HG2' ' A' ' 80' ' ' MET . 21.0 tp10 -111.21 151.64 28.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.9 t -114.29 126.37 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -114.99 118.15 32.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 96' ' ' ILE . 28.0 t -94.09 140.36 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.59 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 96.0 m-85 -141.31 128.58 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -81.95 138.62 34.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 65.2 m -124.53 149.52 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.7 mm-40 -144.08 134.85 12.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.2 Cg_endo -69.73 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.39 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.04 170.74 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.7 30.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -79.28 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.46 -21.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.15 -50.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 13.2 m -57.32 -37.93 73.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -39.57 67.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . . . -55.29 -50.99 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.57 -36.01 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 31.7 tt0 -53.51 -49.5 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.52 -46.68 38.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -57.18 -43.65 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -95.73 172.83 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -124.42 -20.52 5.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.13 96.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p -132.1 44.8 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p -101.22 44.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.46 125.75 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -128.23 98.95 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.44 -58.54 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.08 157.66 45.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 p -101.61 142.16 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.9 p -73.6 151.46 89.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.542 0.687 . . . . 0.0 111.178 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.11 30.15 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.653 2.235 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -95.19 -37.26 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HA ' HD12 ' A' ' 18' ' ' LEU . 11.4 mt-10 -65.22 -48.92 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' GLU . 66.8 mtm180 -37.36 -55.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -53.22 -36.98 61.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 15' ' ' GLU . 26.7 mt -72.62 -49.82 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LEU . 41.9 m -34.22 -49.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -49.3 76.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.7 mmt -46.35 -39.75 10.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.556 ' HG2' HG23 ' A' ' 145' ' ' VAL . 96.5 mt-30 -69.98 -38.43 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -58.94 -69.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -111.76 -47.92 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -152.01 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 59.4 t80 -138.0 118.41 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -97.16 130.84 44.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -75.14 114.47 35.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -34.98 13.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.27 . . . . 0.0 112.372 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.7 m -54.89 -50.38 68.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -41.22 -52.44 3.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HD3' ' CG ' ' A' ' 35' ' ' GLU . 10.3 tppt? -82.99 66.34 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -133.34 -70.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -70.62 -41.92 71.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 2.3 pp20? -36.98 -37.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -63.9 112.87 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -141.99 135.86 29.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -123.6 89.67 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -145.81 159.57 43.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -86.36 42.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.71 -74.54 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 132.87 24.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -159.57 134.94 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -70.09 168.89 14.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.03 175.69 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.7 pt -145.11 -177.06 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.81 149.52 35.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -56.02 -30.73 57.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -68.35 108.96 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.41 109.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.3 t -145.49 166.97 24.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.6 p -173.53 169.85 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.34 152.71 24.1 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -162.58 174.71 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -136.52 167.24 21.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -158.58 157.63 28.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 p -171.95 125.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.6 t -142.68 151.75 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.99 150.19 19.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -171.09 113.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -108.74 166.14 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -118.2 159.65 14.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 137.52 35.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 p -117.83 151.7 49.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.708 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.36 40.19 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.398 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -80.74 82.63 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -99.91 137.72 37.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -113.97 21.5 14.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.34 141.78 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p -162.93 139.0 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -115.91 121.35 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -102.52 117.38 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.52 146.49 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -88.02 117.36 26.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 170' ' ' CYS . 31.4 m -151.6 174.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -111.43 162.91 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -123.99 103.26 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.565 HD13 HG12 ' A' ' 167' ' ' VAL . 7.3 mp -67.04 -50.66 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 151.51 176.79 24.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 17.8 ttp -83.8 126.47 32.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -132.14 113.2 14.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.75 54.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.472 ' HB ' ' CG2' ' A' ' 91' ' ' THR . 14.3 m -115.33 163.01 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.75 -38.38 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.39 150.32 51.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -27.39 26.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 142' ' ' PHE . 34.7 m -130.03 172.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.08 142.68 9.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 88.1 mmm -77.37 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -38.12 -46.39 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 83' ' ' VAL . 94.4 m -66.64 -45.26 79.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.22 -56.43 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.512 ' HA ' HD12 ' A' ' 96' ' ' ILE . 52.0 m-20 -53.66 -44.41 69.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.6 t -47.52 -48.87 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.69 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.619 ' HA ' HG21 ' A' ' 167' ' ' VAL . 82.0 mt -44.22 -53.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 101' ' ' THR . 10.6 mm-40 -60.76 -47.35 86.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -44.83 -43.34 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 81' ' ' LEU . 25.9 mt -82.42 -48.73 10.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 mtt -43.63 -41.62 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 97' ' ' GLU . 10.1 t -80.14 -29.26 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -68.16 -50.55 53.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 p -118.59 166.06 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.447 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 41.7 m -90.95 162.58 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -56.53 -37.39 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.47 -45.5 30.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.3 -41.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.4 m0 -55.39 114.91 8.04 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.623 ' O ' HG13 ' A' ' 111' ' ' VAL . 54.0 Cg_endo -69.7 116.38 4.53 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 m -48.43 109.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 109' ' ' PRO . 31.1 m -111.86 170.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 125' ' ' GLU . 97.2 m-20 -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.6 tpp -85.41 104.71 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.55 97.75 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 76.8 t -101.84 121.68 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.81 144.44 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.0 t70 43.22 43.87 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.597 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 58.34 40.47 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.5 m -132.66 113.89 13.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -89.61 106.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.641 ' CG2' HG23 ' A' ' 131' ' ' VAL . 18.4 m -120.2 121.0 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 96.8 t -84.28 100.38 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 131' ' ' VAL . 32.8 mm -98.44 136.66 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.3 t -51.54 154.49 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.454 ' HA ' ' ND2' ' A' ' 112' ' ' ASN . 9.1 tt0 -51.96 -48.64 64.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 12.0 tptm -100.92 -68.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 86.4 m-20 -49.55 118.15 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -87.52 -32.7 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.13 41.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 131' ' ' VAL . 6.5 tp10 -104.45 -29.63 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.641 HG23 ' CG2' ' A' ' 121' ' ' THR . 8.3 p 28.81 46.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.9 mt -34.04 -47.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.9 t -138.22 134.99 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -119.09 107.15 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.4 t -122.03 143.87 49.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 57.4 mtp85 -121.02 122.11 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 136' ' ' ARG . 87.6 t -36.21 -51.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -44.65 -45.75 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.05 -38.63 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 141' ' ' SER . 6.0 tt -46.96 134.98 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.475 ' N ' HD23 ' A' ' 140' ' ' LEU . 58.1 p -106.01 -45.23 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.615 ' HB2' HG12 ' A' ' 87' ' ' VAL . 81.3 t80 -155.91 160.75 40.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.433 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 8.9 ptt? -160.9 151.32 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -163.07 -172.53 30.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.556 HG23 ' HG2' ' A' ' 22' ' ' GLN . 22.5 m -115.95 152.4 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.418 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -78.44 -175.8 46.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -26.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.88 119.16 31.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.539 ' HB ' HD13 ' A' ' 18' ' ' LEU . 29.2 m -37.89 -41.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.451 ' N ' HG23 ' A' ' 149' ' ' VAL . 71.9 m80 -43.18 -46.68 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.414 ' CG2' ' CZ3' ' A' ' 169' ' ' TRP . 52.2 p -80.16 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.52 112.85 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -119.38 157.43 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 7.3 p90 -145.84 143.98 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.499 HD12 ' HD2' ' A' ' 142' ' ' PHE . 54.6 mt -97.22 133.28 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 11.3 ptm -136.89 166.72 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -108.32 128.17 54.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.8 p -104.0 -21.02 13.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 140.05 166.09 10.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.71 32.63 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 56.58 31.65 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.412 ' HA ' ' NE ' ' A' ' 162' ' ' ARG . 12.5 mmp_? -97.86 146.63 25.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -126.03 115.97 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -109.22 156.64 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.32 117.26 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.577 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 94.0 m-70 -100.46 120.81 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.619 HG21 ' HA ' ' A' ' 96' ' ' ILE . 72.0 t -92.66 147.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 82.9 m-85 -150.05 134.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.414 ' CZ3' ' CG2' ' A' ' 151' ' ' THR . 44.7 t-105 -89.9 124.86 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.472 ' HA ' HG12 ' A' ' 75' ' ' VAL . 97.2 m -109.18 155.07 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 37.9 mt-10 -148.21 136.7 11.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.77 -47.6 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.83 157.0 36.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.36 42.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.57 -55.66 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.75 -39.06 92.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 181' ' ' VAL . 69.8 t -67.52 -52.97 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 57.5 p -60.33 -32.75 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.16 -49.19 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.9 -57.32 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 177' ' ' VAL . 8.5 p -55.17 -39.96 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 38.9 tt0 -56.92 -57.96 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -39.01 -48.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -43.47 -42.85 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -127.21 133.12 50.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.81 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -71.56 154.16 41.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.35 167.52 16.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -107.19 124.24 49.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -130.88 146.61 52.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.798 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.72 72.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -102.38 165.15 11.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.338 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.2 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.72 128.29 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.8 p -83.6 141.51 14.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -81.47 149.86 65.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -13.28 34.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -89.08 -43.73 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.41 -52.27 66.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -44.23 -63.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -40.04 -43.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 175' ' ' ALA . 18.4 mt -69.8 -53.81 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -37.85 -45.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -60.92 -44.83 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' LEU . 20.2 mtt -55.37 -36.47 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.34 -49.36 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.58 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -129.03 -32.42 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.08 -163.43 12.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 50.2 t80 -129.24 95.15 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.89 152.6 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.412 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 11.0 t-20 -99.23 111.36 60.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' THR . 53.4 Cg_endo -69.79 -45.51 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.614 2.209 . . . . 0.0 112.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' PRO . 26.7 m -36.4 -44.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -68.16 -54.24 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.63 46.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -101.56 -48.61 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.83 42.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 35' ' ' GLU . 2.7 pp20? -88.7 42.85 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.1 94.09 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.6 mtp -41.92 100.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -83.66 92.19 7.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -62.79 100.37 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.8 m -74.59 84.99 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.99 170.44 44.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 139.87 41.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -117.37 175.71 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 m -110.86 138.18 47.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.72 57.27 0.59 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.7 mm -113.31 118.43 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 111.084 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -112.96 144.08 43.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.05 -56.48 2.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -162.57 162.94 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.41 -121.5 6.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.546 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m 55.57 42.51 29.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.1 m -97.27 92.82 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.42 162.72 29.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 p -129.23 173.6 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.1 p -156.96 175.08 14.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.13 171.86 44.87 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -109.79 156.06 20.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.836 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 t -116.07 42.5 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.03 -170.53 11.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.2 m -156.08 139.5 15.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.2 p -120.95 157.86 28.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -135.87 145.02 17.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 90.78 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.4 p -60.51 143.76 89.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.569 0.7 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 137.79 36.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.379 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -75.96 142.43 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 m -140.23 141.45 35.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -121.91 -5.69 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 69' ' ' LEU . 2.0 pt? -117.6 154.36 31.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 116' ' ' ALA . 2.5 p -160.32 139.92 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -96.78 117.97 32.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -109.71 117.97 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.74 151.56 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 74' ' ' ARG . 0.7 OUTLIER -97.39 123.82 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -152.58 179.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -118.53 155.59 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -109.21 111.4 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.595 ' HA3' HD22 ' A' ' 99' ' ' LEU . . . 168.34 176.45 38.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.529 ' HE1' ' N ' ' A' ' 165' ' ' CYS . 2.8 tpt -98.29 104.16 16.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.612 HD21 ' ND2' ' A' ' 98' ' ' ASN . 0.5 OUTLIER -113.78 115.12 46.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.645 0.735 . . . . 0.0 110.936 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 144.04 53.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 91' ' ' THR . 0.3 OUTLIER -108.47 175.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -102.59 -28.39 12.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' H ' HG21 ' A' ' 91' ' ' THR . 81.7 mtt180 -124.26 150.19 63.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.38 29.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.728 HG12 ' HB2' ' A' ' 142' ' ' PHE . 15.1 m -138.07 170.58 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.31 143.8 10.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.491 ' HE3' ' HA3' ' A' ' 144' ' ' GLY . 4.3 mmt -80.14 -57.44 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -38.94 -36.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.46 HG21 ' H ' ' A' ' 85' ' ' ARG . 86.1 m -80.11 -48.93 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -58.14 -54.85 42.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' SER . 2.6 m-80 -49.41 -52.83 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 33.3 t -36.33 -46.12 0.51 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -59.63 -53.28 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.566 ' HA ' HG21 ' A' ' 167' ' ' VAL . 97.4 mt -45.08 -58.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.77 -46.62 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.665 ' O ' HG22 ' A' ' 101' ' ' THR . 8.2 t-20 -44.7 -68.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.595 HD22 ' HA3' ' A' ' 79' ' ' GLY . 12.3 mt -59.31 -40.83 87.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -49.52 -40.98 39.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 98' ' ' ASN . 13.6 t -86.94 -17.35 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 t -76.2 -44.26 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.1 m -126.09 -176.36 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.9 m -108.7 165.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 33.8 tttm -57.19 -43.76 83.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.25 -40.12 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -48.0 -38.0 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.43 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 6.5 m0 -59.55 119.72 42.53 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.54 0.686 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -63.78 118.12 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.64 173.63 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -129.7 137.71 50.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.409 ' HG2' HG23 ' A' ' 115' ' ' VAL . 40.7 ttm -88.27 101.01 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.402 ' OD1' HG21 ' A' ' 70' ' ' VAL . 27.9 t30 -82.73 95.92 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.409 HG23 ' HG2' ' A' ' 113' ' ' MET . 93.5 t -98.65 100.42 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.562 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -144.86 125.54 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 62.4 49.5 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.554 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 50.93 37.68 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -127.62 114.85 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -93.45 102.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.559 ' CG2' HG23 ' A' ' 131' ' ' VAL . 62.8 m -117.95 126.09 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.515 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 91.1 t -88.53 98.13 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 131' ' ' VAL . 15.4 mm -94.65 131.9 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -60.25 133.75 56.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.99 -46.08 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -69.26 -70.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -86.28 136.6 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.43 -28.19 17.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.81 40.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.4 tp10 -105.33 -30.92 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.559 HG23 ' CG2' ' A' ' 121' ' ' THR . 14.8 p 32.55 48.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 47.4 mt -33.23 -46.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 71.3 t -141.45 134.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -118.48 101.14 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.7 t -115.54 147.75 40.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -124.05 127.81 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 140' ' ' LEU . 89.5 t -43.75 -51.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -44.16 -43.13 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.27 -22.14 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 137' ' ' VAL . 1.7 tt -55.09 126.18 23.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 56.3 p -99.48 -37.88 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.728 ' HB2' HG12 ' A' ' 87' ' ' VAL . 44.1 t80 -161.76 156.51 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 1.5 ptt? -155.43 147.52 23.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.491 ' HA3' ' HE3' ' A' ' 89' ' ' MET . . . -165.43 -172.66 33.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.0 m -118.67 160.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -92.51 -174.38 41.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 146' ' ' GLY . 52.7 mttm -35.35 -46.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -105.5 127.14 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 m -53.05 -20.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 69.1 m80 -58.81 -36.77 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.566 HG22 ' CE3' ' A' ' 169' ' ' TRP . 72.3 p -91.78 129.83 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -129.57 113.96 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -119.9 146.55 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -132.73 138.59 47.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.467 HD12 ' HD2' ' A' ' 142' ' ' PHE . 87.5 mt -95.86 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.3 ptm -116.54 157.26 25.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -105.22 113.15 26.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p -77.91 -57.6 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 170.25 160.71 19.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 63.09 39.02 10.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 60.76 33.69 20.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -91.97 153.27 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -133.64 118.39 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.433 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 15.5 mm-40 -116.79 143.21 45.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.529 ' N ' ' HE1' ' A' ' 80' ' ' MET . 2.4 t -122.82 115.92 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.541 ' HB3' ' CE2' ' A' ' 168' ' ' PHE . 31.3 m80 -106.47 114.32 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 96' ' ' ILE . 23.5 t -87.5 152.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 83.6 m-85 -154.01 133.47 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.566 ' CE3' HG22 ' A' ' 151' ' ' THR . 44.0 t-105 -85.83 142.65 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.26 153.09 46.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.51 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 25.2 mt-10 -139.73 132.07 15.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.4 Cg_endo -69.72 -48.29 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.361 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -125.08 167.09 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -90.13 45.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.659 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -86.82 -49.04 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.58 -38.5 77.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.24 -56.19 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.7 p -58.3 -26.42 63.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.58 -45.58 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.5 -54.67 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.9 p -60.52 -24.99 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.553 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 32.5 tt0 -75.67 -42.78 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.14 83.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -52.56 -38.93 60.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -138.21 114.5 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -103.38 162.42 13.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.83 -119.05 3.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -105.71 115.83 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -125.42 60.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.29 -75.12 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -119.67 134.04 55.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.15 114.34 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.1 140.14 39.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -88.99 147.25 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -71.02 152.03 94.91 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.547 0.689 . . . . 0.0 111.169 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -12.7 33.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -92.46 -33.47 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.79 -61.76 1.67 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 17' ' ' HIS . 9.0 ptp180 -44.48 -39.07 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.426 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.9 t60 -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.551 HD13 ' HB ' ' A' ' 149' ' ' VAL . 13.3 mt -77.82 -37.33 48.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m -49.75 -44.39 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -63.4 -44.07 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -50.43 -19.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.429 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 79.6 mt-30 -89.77 -40.66 12.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -44.55 -71.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -117.83 -36.89 3.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -165.0 13.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 182' ' ' GLN . 6.0 t80 -119.38 103.54 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -86.59 156.74 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 30' ' ' THR . 36.2 t-20 -99.09 115.81 65.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -31.95 19.58 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.47 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 3.3 m -74.01 -1.35 19.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -101.36 -21.73 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -95.32 -30.47 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' PHE . 34.2 t80 -48.67 -70.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' PHE . 12.6 t80 -37.76 -39.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -91.71 58.55 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.4 139.38 58.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -131.35 146.2 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -167.47 147.34 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -119.24 130.14 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -133.98 149.16 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -41.81 144.7 0.81 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' SER . 53.9 Cg_endo -69.76 154.91 67.17 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' PRO . 34.5 p 34.47 53.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.7 p -47.37 111.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.52 -128.45 8.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.419 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.8 pp -126.37 19.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.11 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.3 114.27 7.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.74 -168.68 5.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.4 mtm-85 -54.83 114.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.13 122.62 1.43 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -104.94 147.84 27.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.8 p -143.29 137.7 29.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.9 130.14 1.32 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -163.58 158.42 20.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.3 m -128.46 166.65 18.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.43 140.13 2.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -173.06 137.61 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -138.56 141.03 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.14 105.15 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.7 t -74.89 73.18 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.4 p -108.39 172.1 7.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.77 -175.22 45.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.2 47.34 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.43 121.2 54.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 111.183 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 165.62 30.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 44.12 51.69 7.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 p -48.55 130.99 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -94.0 1.28 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.8 mt -136.84 147.36 46.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 116' ' ' ALA . 5.5 p -174.11 136.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.469 ' OE1' ' HB1' ' A' ' 180' ' ' ALA . 28.3 mt-30 -103.37 126.21 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -120.26 111.12 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -110.18 157.34 19.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -97.92 128.58 44.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.02 -176.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -121.57 159.56 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -114.66 108.76 17.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.6 mp -73.68 -43.45 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.91 -175.5 29.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -109.43 113.57 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.457 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -105.5 116.72 59.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.61 19.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.43 161.55 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -101.23 -23.78 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -104.48 130.18 23.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.31 37.59 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 142' ' ' PHE . 25.0 m -146.14 -175.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.28 143.82 10.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.1 mmt -86.03 -9.54 56.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.69 -45.3 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.2 m -69.58 -30.65 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -78.14 -47.41 18.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -65.95 -30.06 70.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -66.83 -33.23 75.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.83 -51.39 41.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.1 mt -42.66 -66.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.8 -36.21 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.412 ' O ' HG22 ' A' ' 101' ' ' THR . 15.6 t-20 -55.46 -47.23 76.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.1 mt -79.38 -37.31 37.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -47.53 -36.51 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 98' ' ' ASN . 1.5 t -86.83 -19.87 28.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -72.31 -43.16 64.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 m -133.97 155.52 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 9.8 m -86.66 164.18 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 108' ' ' TRP . 40.3 tttm -54.84 -33.58 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.46 -37.41 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.68 -36.62 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.47 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.8 m0 -62.24 113.85 9.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.705 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.74 127.82 15.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -61.48 110.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -112.93 171.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -121.33 135.06 55.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.4 ttm -89.91 105.34 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -90.69 97.31 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.3 t -101.54 105.36 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.748 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -145.94 143.25 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 t70 48.75 39.32 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.4 45.1 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.1 m -136.84 115.71 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.94 98.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.4 m -117.59 113.64 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.468 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 24.6 t -81.87 105.06 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.25 143.35 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -74.3 143.31 45.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.69 -56.84 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -51.02 -70.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -99.66 148.52 24.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -95.63 -15.98 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -103.61 42.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -108.29 -31.66 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.4 p 38.15 49.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -34.66 -39.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.1 t -146.34 130.18 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -120.07 102.84 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.7 t -122.71 147.63 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -118.91 133.86 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.448 HG11 ' HA ' ' A' ' 185' ' ' CYS . 84.8 t -53.54 -35.91 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -59.14 -36.1 74.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.15 -23.77 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.38 131.64 42.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.0 t -96.37 -69.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.697 ' CB ' HG12 ' A' ' 87' ' ' VAL . 60.2 t80 -137.74 148.1 45.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -148.52 158.06 43.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.85 -168.76 34.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.429 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -116.72 151.77 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -82.68 -170.18 45.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -44.74 -38.8 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -106.22 127.31 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.614 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 20.1 m -52.37 -17.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 47.1 m80 -70.12 -31.61 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 43.5 p -87.23 123.88 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 181' ' ' VAL . 8.7 t80 -128.02 119.16 24.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -126.32 164.93 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.7 p90 -158.95 140.27 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 59.3 mt -95.48 140.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 9.7 ptm -133.61 166.21 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -111.69 116.79 31.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.2 p -90.33 -52.58 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 170.3 168.71 32.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 60.9 25.11 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 65.65 35.32 7.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -100.74 160.07 14.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -138.31 122.33 17.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -107.84 141.92 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 8.1 t -110.24 107.88 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -99.04 130.72 45.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 168' ' ' PHE . 23.8 t -108.01 154.73 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.468 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 92.2 m-85 -154.18 139.16 17.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -96.2 126.36 41.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 3.8 m -114.35 147.6 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.555 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 19.0 mt-10 -139.97 140.66 24.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.71 -45.96 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.366 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.23 155.52 33.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 149' ' ' VAL . . . -83.38 35.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.0 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.05 -20.93 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 181' ' ' VAL . 73.8 t -92.3 -49.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 22.9 t -67.38 -23.39 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -83.08 -40.85 19.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' ALA . . . . . 0.469 ' HB1' ' OE1' ' A' ' 71' ' ' GLN . . . -69.7 -45.8 67.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 152' ' ' PHE . 12.2 p -60.96 -43.85 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 8.0 pt20 -74.07 -14.2 60.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -78.88 -29.52 44.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -70.36 -39.05 74.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' CYS . . . . . 0.448 ' HA ' HG11 ' A' ' 137' ' ' VAL . 58.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 t -89.79 128.82 36.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -109.15 98.36 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.04 105.03 0.9 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.536 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -126.15 171.1 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -89.64 173.52 8.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.78 73.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.7 169.14 10.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.52 13.24 17.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.94 119.93 25.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 12' ' ' THR . 11.8 p -102.03 158.12 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.459 ' N ' HG22 ' A' ' 11' ' ' VAL . 1.7 p -87.89 152.49 51.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -10.28 28.2 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.375 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -89.06 -59.63 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -46.71 -43.13 17.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -38.34 -48.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -35.62 80.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 149' ' ' VAL . 20.0 mt -68.76 -33.17 73.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -50.92 -59.02 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -48.68 -31.93 7.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 mmt -75.23 -33.73 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.451 ' HG2' ' CG2' ' A' ' 145' ' ' VAL . 9.0 mt-30 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -52.59 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.11 -28.0 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.4 -143.47 16.48 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 51.1 t80 -150.06 106.88 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.87 157.3 28.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -96.99 107.18 35.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 31' ' ' TYR . 54.3 Cg_endo -69.72 -48.87 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' PRO . 18.1 m -36.31 -30.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -81.76 -58.68 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -50.18 -49.77 51.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -48.07 -42.25 28.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -66.31 -50.42 63.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -46.92 -56.52 6.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -91.01 119.93 31.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.96 72.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.6 129.05 39.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -74.87 114.26 13.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.6 t -100.21 120.57 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.59 70.02 0.9 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.77 3.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 p -45.6 123.8 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 p -144.44 131.05 20.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.27 89.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -145.47 141.75 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -138.18 150.4 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.82 -178.71 42.53 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -130.08 119.3 22.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.51 87.64 0.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.7 m -148.27 155.99 42.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -156.87 117.47 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.32 150.83 49.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.9 m -124.34 118.64 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -151.89 107.16 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.01 161.76 53.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -95.19 122.92 38.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 t -157.11 119.84 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.9 -78.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t 41.09 41.61 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -94.27 136.21 34.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.6 -154.93 7.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 127.1 14.13 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.343 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.2 p -98.95 144.37 28.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 53.8 Cg_endo -69.78 -176.07 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' PRO . 33.0 mtmt 34.23 38.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 69' ' ' LEU . 4.1 m -36.99 139.27 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.4 2.83 6.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.414 ' H ' HG22 ' A' ' 67' ' ' THR . 74.3 mt -124.05 148.23 47.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.942 HG23 ' HB2' ' A' ' 116' ' ' ALA . 13.4 p -171.75 146.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -109.64 131.46 55.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.17 113.27 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -107.58 154.14 21.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 75' ' ' VAL . 1.4 tmm_? -98.78 127.49 44.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 74' ' ' ARG . 35.7 m -160.52 168.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -106.8 161.78 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -114.54 109.78 18.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mp -69.84 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' HD13 ' A' ' 99' ' ' LEU . . . 170.02 177.45 40.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.545 ' HE1' ' N ' ' A' ' 165' ' ' CYS . 3.5 tpt -97.26 102.89 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -111.21 113.83 53.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.949 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 149.06 66.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.19 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -102.03 -25.06 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -117.88 141.57 29.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.18 29.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.74 HG12 ' HB2' ' A' ' 142' ' ' PHE . 17.2 m -137.49 175.61 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.91 153.12 12.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.18 -34.8 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.68 -29.01 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.2 m -85.58 -47.07 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 153' ' ' ALA . 9.1 tt -61.63 -46.5 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -61.09 -33.41 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -65.44 -41.36 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -63.12 -35.11 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' HA ' HG21 ' A' ' 167' ' ' VAL . 21.7 mt -59.53 -59.34 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -56.88 -40.78 76.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -50.49 -47.13 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 102' ' ' SER . 98.8 mt -79.13 -47.28 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.7 mmt -40.64 -41.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -84.83 -27.15 26.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.3 t -59.2 -47.31 85.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.5 p -133.14 161.17 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -78.08 159.27 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.516 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.1 tttt -52.93 -33.61 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -77.54 -42.25 36.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -44.71 -33.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.516 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 6.2 m0 -61.49 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.599 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.5 Cg_endo -69.67 120.59 7.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -53.48 119.08 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 109' ' ' PRO . 21.8 m -120.2 -175.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -136.4 136.59 39.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.0 ttm -92.32 100.21 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -87.26 96.64 10.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.9 t -96.91 100.45 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.942 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -140.53 133.97 29.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 t70 52.79 45.58 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.495 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 54.07 44.08 29.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.7 m -132.78 114.46 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.7 t -89.59 106.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.9 m -121.57 125.68 47.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 77.5 t -88.0 102.14 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.4 mm -96.75 136.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -67.77 146.64 53.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.31 -42.88 78.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -68.65 -54.06 18.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -106.36 138.02 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -91.44 -23.43 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.54 40.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -100.05 -33.67 10.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 131' ' ' VAL . 7.1 p 39.08 46.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 131' ' ' VAL . 38.8 mt -34.04 -51.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.38 139.03 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -124.81 103.33 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 8.4 t -117.6 151.06 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -124.01 127.13 47.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 79.1 t -43.29 -41.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.56 -41.17 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -79.92 -18.14 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.16 124.26 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.8 t -97.04 -46.11 6.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.74 ' HB2' HG12 ' A' ' 87' ' ' VAL . 20.1 t80 -157.58 158.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' MET . . . . . 0.454 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.8 OUTLIER -156.86 157.37 34.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.66 -177.98 44.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 22' ' ' GLN . 8.2 m -108.31 166.51 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -103.89 -162.8 24.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 146' ' ' GLY . 25.1 mmtp -37.35 -59.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -98.84 122.98 42.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.489 ' HB ' HD13 ' A' ' 18' ' ' LEU . 35.1 m -43.91 -29.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.481 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 59.3 m80 -50.96 -41.37 59.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 73.1 p -77.2 132.76 38.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -133.09 113.92 13.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ALA . . . . . 0.669 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -123.53 147.86 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 7.2 p90 -135.69 146.12 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.25 114.22 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -110.4 166.65 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -116.57 138.09 51.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.4 p -106.51 -50.88 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 166.89 156.4 9.67 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 4.4 m120 61.41 41.61 12.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 61.15 35.16 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -91.16 142.29 27.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -129.8 121.65 27.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLU . . . . . 0.499 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 5.8 mm-40 -115.95 142.93 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' CYS . . . . . 0.545 ' N ' ' HE1' ' A' ' 80' ' ' MET . 10.7 t -122.68 123.35 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 168' ' ' PHE . 37.6 m80 -115.45 113.92 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.0 t -89.55 138.54 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 61.6 m-85 -138.74 144.82 39.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -96.07 133.71 39.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 82.6 m -115.91 163.41 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 20.5 mt-10 -153.5 133.63 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.72 -47.72 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.363 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -121.16 169.9 10.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.51 29.67 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -80.86 -37.65 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.2 -41.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 28.9 p -66.1 -30.12 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.53 -31.89 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -74.66 -34.36 62.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.02 -34.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.424 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 36.1 tt0 -66.56 -37.19 84.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -54.28 -51.42 64.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.495 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -46.02 -48.37 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.547 HD13 HG11 ' A' ' 149' ' ' VAL . 13.6 mt -74.21 -35.61 63.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -52.6 -46.41 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -52.89 -47.88 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -61.77 -23.8 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.61 -29.75 27.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.01 -74.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.43 -45.48 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.3 -156.08 16.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.67 118.35 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -102.17 132.8 47.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 71' ' ' GLN . 1.3 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.83 0.348 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.484 ' N ' ' CG2' ' A' ' 70' ' ' VAL . 20.2 mt-30 -106.89 123.63 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -119.26 129.59 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -121.49 155.45 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 74' ' ' ARG . 3.5 tmt_? -95.92 121.82 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 35.0 m -157.8 164.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -101.07 163.1 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -116.59 100.21 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.9 mp -65.74 -43.07 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.53 -177.81 22.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.55 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 24.2 ttp -103.72 133.15 49.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.7 OUTLIER -124.04 120.09 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.504 ' N ' HD13 ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.8 141.86 46.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.51 172.56 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.21 -23.0 11.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -113.37 142.15 27.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.67 29.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.36 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.749 HG12 ' CB ' ' A' ' 142' ' ' PHE . 18.6 m -143.37 -176.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.97 121.22 3.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.09 -24.03 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.76 -22.71 46.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -85.27 -50.77 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 153' ' ' ALA . 8.7 tt -60.55 -54.16 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -53.39 -57.28 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -42.17 -47.27 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -56.33 -43.14 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.483 ' HA ' HG21 ' A' ' 167' ' ' VAL . 59.4 mt -51.12 -61.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.12 -32.47 47.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.423 ' O ' HG22 ' A' ' 101' ' ' THR . 8.0 t-20 -63.29 -52.77 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 167' ' ' VAL . 10.9 mt -70.09 -34.19 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.24 -47.48 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 98' ' ' ASN . 11.2 t -74.09 -24.93 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.9 t -61.53 -54.43 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -126.61 157.02 39.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.5 m -75.85 177.91 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -68.19 -36.31 79.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -81.4 -21.44 38.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -34.6 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.5 m0 -67.28 118.45 56.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.53 23.48 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.0 m -62.79 117.56 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.93 -177.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -135.44 133.85 39.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 7.9 ttm -86.35 109.08 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.36 98.28 11.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.47 105.49 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -146.71 147.53 31.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 t0 40.23 43.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.496 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.09 43.52 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.9 m -130.46 125.43 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.2 t -100.54 97.65 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 92.7 m -118.36 114.48 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.603 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 90.3 t -78.76 96.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.405 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 4.7 mm -91.77 134.79 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 t -51.21 161.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.58 -62.15 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 36.4 pttt -80.8 -50.34 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 82.0 m-20 -73.59 131.12 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.405 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 58.9 tt0 -102.57 -23.87 13.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -100.81 18.66 18.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.426 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 12.2 tp10 -78.92 -39.1 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.703 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.3 p 41.85 45.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' VAL . 62.1 mt -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.09 144.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -128.1 111.26 13.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.6 t -126.1 144.37 50.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -116.02 120.47 39.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 70.2 t -47.98 -47.52 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -49.87 -27.24 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -94.06 -31.45 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.5 tt -45.31 121.75 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.6 t -88.49 -58.48 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.749 ' CB ' HG12 ' A' ' 87' ' ' VAL . 16.7 t80 -138.85 153.01 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.588 ' HB3' HD21 ' A' ' 140' ' ' LEU . 1.2 ptt? -151.58 150.85 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.06 176.28 46.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.64 162.6 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.376 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -85.11 -175.88 50.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -44.53 -29.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.45 ' N ' ' HG2' ' A' ' 147' ' ' LYS . 11.8 m-20 -112.28 137.64 50.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.547 HG11 HD13 ' A' ' 18' ' ' LEU . 31.4 m -59.46 -36.46 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -53.45 -29.62 36.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 69.1 p -91.75 125.56 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -130.4 121.55 26.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.426 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -125.96 173.6 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.404 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 21.7 p90 -164.66 147.33 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 95.1 mt -100.97 132.45 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -128.74 157.87 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -103.96 130.54 51.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 164' ' ' GLU . 16.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -137.76 130.08 29.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.411 ' CD ' HG21 ' A' ' 158' ' ' THR . 93.7 mt-10 -118.22 139.68 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 25.6 t -114.65 111.29 21.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 86.8 m-70 -105.01 141.07 37.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 96' ' ' ILE . 20.8 t -113.69 147.15 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.603 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 62.8 m-85 -145.76 139.29 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -91.17 134.01 34.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 177' ' ' VAL . 84.2 m -121.58 145.32 48.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.2 mm-40 -135.43 135.6 22.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.2 Cg_endo -69.79 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 -1.801 . . . . 0.0 112.331 0.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.19 176.57 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.22 26.29 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.64 -42.96 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.46 -20.04 62.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.491 HG21 ' SG ' ' A' ' 170' ' ' CYS . 53.4 t -91.06 -51.87 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 92.3 p -60.06 -14.19 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.74 -37.53 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.48 77.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 182' ' ' GLN . 11.1 p -74.71 -41.34 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.454 ' N ' HG13 ' A' ' 181' ' ' VAL . 6.4 tt0 -60.56 -47.53 85.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.12 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.496 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -65.38 -33.37 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t60 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.809 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' ' 175' ' ' ALA . 59.3 mt -75.59 -39.13 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -52.13 -38.89 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -70.12 -41.11 74.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mmt -55.21 -25.35 32.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -86.33 -37.32 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -55.73 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -114.81 -37.48 4.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 -175.67 19.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -126.23 91.67 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.64 161.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.665 HD22 HD22 ' A' ' 140' ' ' LEU . 25.1 t-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.537 HG21 ' OD1' ' A' ' 114' ' ' ASN . 3.0 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -108.74 120.0 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -108.17 110.05 21.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -103.39 163.14 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -106.71 110.19 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.32 168.29 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -106.08 168.38 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -121.86 111.72 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 167' ' ' VAL . 8.3 mp -70.29 -59.7 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.596 ' HA3' HD22 ' A' ' 99' ' ' LEU . . . 168.65 179.48 40.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.628 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 3.0 tpt -100.07 104.53 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -112.09 114.11 51.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.82 137.0 34.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.641 2.228 . . . . 0.0 112.348 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 163' ' ' PHE . 0.6 OUTLIER -105.84 170.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -99.41 -26.41 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -124.54 144.29 45.76 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.662 0.744 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD3' ' CE2' ' A' ' 163' ' ' PHE . 53.9 Cg_endo -69.75 -19.52 36.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.676 HG12 ' HB2' ' A' ' 142' ' ' PHE . 15.6 m -138.58 172.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.03 144.58 10.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -81.85 -59.19 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -40.82 -29.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 59.4 m -83.09 -49.47 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -58.05 -44.81 87.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' SER . 3.1 m-80 -64.08 -56.95 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 4.0 t -36.15 -48.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.18 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.484 ' HA ' HG21 ' A' ' 167' ' ' VAL . 75.4 mt -49.15 -54.52 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -57.12 -42.23 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.497 ' O ' HG22 ' A' ' 101' ' ' THR . 11.3 t-20 -52.77 -62.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' HA3' ' A' ' 79' ' ' GLY . 10.5 mt -63.41 -32.57 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 mmt -53.0 -44.08 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 98' ' ' ASN . 5.1 t -80.89 -28.24 36.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -66.09 -52.57 47.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -116.97 148.4 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.5 m -80.38 157.72 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 108' ' ' TRP . 66.3 tttt -49.21 -40.28 32.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.24 -37.97 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -46.41 -36.81 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.493 ' CZ2' ' HA ' ' A' ' 105' ' ' LYS . 3.9 m0 -59.9 120.09 47.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 136.97 34.26 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.9 p -66.6 114.19 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.64 176.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -130.28 140.56 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 18.3 tpp -92.46 99.62 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.537 ' OD1' HG21 ' A' ' 70' ' ' VAL . 33.8 t30 -84.28 95.97 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.52 109.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.84 148.33 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 39.55 47.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.441 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 53.69 46.83 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.5 m -138.1 118.13 13.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 135' ' ' CYS . 92.1 t -95.95 99.85 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.581 ' CG2' HG23 ' A' ' 131' ' ' VAL . 12.4 m -115.5 121.03 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.409 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 90.1 t -83.34 97.22 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' A' ' 131' ' ' VAL . 16.0 mm -94.12 133.5 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -64.9 138.06 58.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.419 ' O ' ' CD ' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -59.9 -38.91 83.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -74.29 -54.57 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -103.27 129.41 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -87.11 -28.82 22.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.18 33.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.479 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 35.5 tp10 -94.64 -39.88 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.681 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.1 p 43.78 49.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 131' ' ' VAL . 33.4 mt -36.75 -52.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.5 t -129.65 136.88 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -121.49 96.85 5.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 120' ' ' VAL . 53.8 t -117.13 141.12 48.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -118.57 123.73 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.454 HG21 ' HB1' ' A' ' 184' ' ' ALA . 60.7 t -38.49 -35.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.1 mtm-85 -57.8 -45.88 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -74.52 -25.82 59.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.665 HD22 HD22 ' A' ' 28' ' ' ASN . 6.6 tt -55.98 132.01 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.4 p -105.36 -48.78 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.676 ' HB2' HG12 ' A' ' 87' ' ' VAL . 18.0 t80 -146.17 153.96 41.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.418 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.8 ptp -148.03 154.28 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.69 -174.46 44.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 4.9 m -118.98 154.03 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.447 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -80.1 -167.81 36.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -25.55 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -112.86 124.17 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 26.9 m -55.21 -16.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 55.0 m80 -73.28 -27.5 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 29.4 p -92.74 122.4 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -121.87 113.99 20.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -125.07 157.25 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.435 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.8 p90 -146.17 144.39 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 60.3 mt -98.19 113.73 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -108.89 160.64 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -113.49 123.06 49.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.417 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 29.1 mmt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.79 0.328 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.476 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 7.7 m-85 -137.55 123.9 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.442 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 69.9 mt-10 -119.45 144.7 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.513 ' N ' ' HE1' ' A' ' 80' ' ' MET . 1.8 t -124.26 121.95 36.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.628 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 85.7 m-70 -111.82 117.52 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 78' ' ' LEU . 40.6 t -91.0 139.42 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 77.4 m-85 -139.13 136.89 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -91.83 137.03 32.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.54 161.77 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 39.7 mt-10 -150.45 137.67 11.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.75 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.34 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -118.76 175.74 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 149' ' ' VAL . . . -103.05 39.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.445 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -85.01 -51.85 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -64.83 -23.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.71 -42.72 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 89.2 p -68.49 -33.79 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.94 -38.4 37.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.3 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.57 -33.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -59.88 -27.98 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -73.87 -28.88 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 137' ' ' VAL . . . -62.36 -44.26 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.756 0.312 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.674 HD13 ' HB ' ' A' ' 149' ' ' VAL . 16.9 mt -58.38 -33.98 70.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -53.26 -33.86 54.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -59.47 -43.06 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 mmt -65.83 -11.65 48.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 86.5 mt-30 -106.54 -31.32 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -67.28 -74.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.52 -31.11 7.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.22 -173.78 26.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 47.0 t80 -134.86 108.13 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.07 163.45 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 55.8 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.769 HG22 ' CB ' ' A' ' 116' ' ' ALA . 25.0 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.764 0.316 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -97.46 125.2 41.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -121.89 133.75 54.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.79 152.54 43.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 74' ' ' ARG . 3.8 tmt_? -98.29 110.3 22.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.9 m -142.81 176.13 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -110.23 168.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -124.37 116.44 22.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.2 mp -79.22 -45.72 19.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.82 168.88 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.0 ttp -86.62 136.34 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.335 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.58 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -131.79 122.19 18.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.664 0.745 . . . . 0.0 110.891 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.75 132.07 22.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.97 154.67 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.72 -25.12 21.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -117.94 143.37 32.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.717 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -21.49 33.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.43 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.57 10.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.2 mmt -80.67 -49.44 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -51.09 -46.65 61.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -59.16 -40.88 86.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.67 -57.58 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.477 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.7 OUTLIER -56.09 -47.52 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.8 t -42.2 -47.43 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.86 -50.93 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 93' ' ' ASN . 82.0 mt -46.31 -57.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -62.52 -55.76 24.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 81' ' ' LEU . 8.9 mt -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -49.3 -48.62 46.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 t -80.11 -12.85 59.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -76.3 -19.49 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.66 179.85 8.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 49.6 m -100.57 165.16 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -61.77 -40.8 96.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.34 -16.3 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.5 -19.76 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.449 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.0 m0 -74.04 121.24 84.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.627 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.9 Cg_endo -69.71 119.04 6.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -56.38 106.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 109' ' ' PRO . 12.3 m -105.98 -178.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -132.54 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.8 tpp -86.5 103.68 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.457 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 44.4 t30 -90.65 96.25 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.61 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.769 ' CB ' HG22 ' A' ' 70' ' ' VAL . . . -148.73 150.36 33.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.0 t0 42.71 49.94 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.02 44.12 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.616 HG23 ' HG3' ' A' ' 136' ' ' ARG . 17.0 m -137.42 116.12 12.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 48.3 t -87.14 106.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -117.82 120.56 38.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.06 93.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -88.77 138.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -69.34 140.97 54.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.88 -33.26 68.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -101.53 36.14 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -171.78 160.07 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -121.88 -34.25 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -102.55 15.42 29.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.418 ' C ' HG12 ' A' ' 131' ' ' VAL . 13.7 tp10 -69.51 -39.56 77.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.702 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.2 p 41.41 47.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.5 mt -34.19 -42.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.4 t -144.33 131.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.28 104.18 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 21.6 t -121.82 144.57 48.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.616 ' HG3' HG23 ' A' ' 119' ' ' THR . 35.6 mtt-85 -121.65 122.88 40.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.5 t -38.25 -45.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -74.93 -35.69 62.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 141' ' ' SER . 2.7 tt -47.95 136.16 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' HD23 ' A' ' 140' ' ' LEU . 95.9 p -110.82 -52.11 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -144.71 155.65 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -152.72 157.39 40.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -171.57 -158.38 15.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.411 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 6.0 m -134.21 163.94 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.38 179.26 43.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.72 120.11 41.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.674 ' HB ' HD13 ' A' ' 18' ' ' LEU . 35.2 m -43.97 -33.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -54.29 -42.68 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 40.1 p -72.82 130.08 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -135.03 118.54 16.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -128.49 172.29 11.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.63 149.46 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 54.5 mt -109.74 117.63 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.5 ptm -117.66 168.17 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -112.3 102.82 10.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.438 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 12.3 mmt85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 7.6 m-85 -137.87 120.9 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -110.94 156.34 21.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 32.6 t -132.4 105.05 7.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -97.85 130.59 44.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 168' ' ' PHE . 2.4 t -103.01 152.95 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 167' ' ' VAL . 81.1 m-85 -153.15 139.08 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -92.37 128.5 38.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 86.8 m -100.91 150.41 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.6 mt-10 -138.49 124.81 12.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.76 -50.46 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -119.92 173.37 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.406 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -89.93 32.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.57 -54.88 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.09 -29.35 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.16 -48.18 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.1 m -69.97 -22.25 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -81.8 -47.43 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.13 67.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 7.6 p -79.27 -38.93 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 29.8 tt0 -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -43.58 -33.1 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 181' ' ' VAL . . . -60.56 -42.21 96.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.849 0.357 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 175' ' ' ALA . 18.3 mt -68.55 -57.46 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' LEU . 90.3 p -36.9 -50.99 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -50.47 -46.68 56.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mtt -54.25 -32.29 55.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 145' ' ' VAL . 41.5 mt-30 -77.85 -26.69 49.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -60.63 -67.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.63 -37.63 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.82 -168.96 12.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -137.88 105.41 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' CE1' ' A' ' 26' ' ' TYR . 2.8 mp0 -81.11 156.21 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 19.2 t30 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' A' ' 116' ' ' ALA . 7.6 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.737 0.303 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.497 ' NE2' ' HB1' ' A' ' 180' ' ' ALA . 19.1 mt-30 -106.11 120.65 42.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -110.49 113.74 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 98.8 m-85 -110.74 163.08 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.488 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -107.5 125.88 51.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 21.7 m -160.1 178.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -113.2 157.41 21.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.0 108.8 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.5 mp -74.47 -32.62 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.93 -166.74 24.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 20.1 ttp -112.0 128.13 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -123.82 122.15 26.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.526 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.85 132.07 22.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.8 m -109.45 154.78 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.39 -30.96 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -122.65 144.77 43.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -16.97 37.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 m -141.7 175.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.8 134.61 6.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.487 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -69.06 -57.76 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.723 0.297 . . . . 0.0 110.832 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -44.57 -39.23 4.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -65.77 -46.45 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.0 tp -51.01 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -53.52 -55.19 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' ASN . 10.4 t -35.42 -43.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.435 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -73.01 -50.81 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.515 HG23 HG11 ' A' ' 167' ' ' VAL . 19.6 mt -40.95 -55.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 98' ' ' ASN . 56.4 mt-10 -57.62 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 97' ' ' GLU . 7.7 t-20 -36.13 -42.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.4 mt -81.32 -45.85 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -41.77 -42.29 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.9 t -81.07 -31.86 34.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t -57.64 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 p -128.81 157.23 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 67.3 m -82.52 163.66 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -54.32 -44.49 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.97 -31.62 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -61.78 -20.97 64.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.5 m0 -73.92 119.79 77.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 121.43 8.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -57.34 118.48 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -121.22 177.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -129.32 141.39 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 35.6 ttm -95.17 104.06 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.433 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 32.6 t30 -93.84 96.27 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.38 101.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.657 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -137.58 140.84 41.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 t70 51.17 40.96 27.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 57.99 44.8 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 136' ' ' ARG . 26.9 m -140.1 119.16 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.5 t -87.97 111.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -121.85 113.89 20.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.604 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 69.8 t -81.46 94.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.15 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.3 t -59.87 154.01 19.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -51.56 -57.47 9.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -70.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -51.64 118.27 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -104.22 38.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 38.4 tp10 -95.82 -40.69 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.704 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.1 p 43.11 46.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -36.25 -39.19 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.4 t -146.66 129.43 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -114.09 104.4 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.4 t -118.85 146.54 44.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' A' ' 119' ' ' THR . 92.6 mtt180 -119.6 122.4 41.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.7 t -40.1 -49.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -50.43 -41.04 51.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -73.56 -31.12 63.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.413 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.3 tt -51.47 123.12 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -92.99 -53.14 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -150.38 151.08 32.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.66 160.03 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.94 -168.26 34.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 22' ' ' GLN . 21.6 m -121.78 150.68 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.407 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -79.8 -167.6 35.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -48.53 -33.4 9.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 149' ' ' VAL . 4.3 m-20 -116.46 112.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.9 m -35.97 -40.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 149' ' ' VAL . 70.5 m80 -40.84 -47.92 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.7 p -75.89 126.82 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -125.65 119.86 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -129.61 162.35 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.2 p90 -151.82 142.94 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 65.4 mt -97.53 132.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . 0.543 ' SD ' HG23 ' A' ' 158' ' ' THR . 1.4 ppp? -134.93 169.68 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -112.87 133.14 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.543 HG23 ' SD ' ' A' ' 156' ' ' MET . 53.7 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.898 0.38 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.45 122.12 27.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -111.01 149.1 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.5 t -122.88 105.65 10.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 99.9 m-70 -92.39 125.89 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.515 HG11 HG23 ' A' ' 96' ' ' ILE . 5.3 t -103.36 154.03 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.604 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 77.8 m-85 -153.91 144.34 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -95.65 127.18 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.457 ' SG ' HG21 ' A' ' 177' ' ' VAL . 69.7 m -115.67 151.74 34.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.543 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 35.0 mt-10 -142.45 139.21 17.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.8 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.314 0.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -124.11 157.63 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 41.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.5 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -87.07 -42.83 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -74.88 -25.73 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.457 HG21 ' SG ' ' A' ' 170' ' ' CYS . 61.5 t -83.71 -44.83 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.6 p -66.15 -37.01 84.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -73.42 -35.47 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.497 ' HB1' ' NE2' ' A' ' 71' ' ' GLN . . . -68.04 -47.95 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 182' ' ' GLN . 11.9 p -66.58 -40.75 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 181' ' ' VAL . 3.2 tt0 -66.06 -35.43 80.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.07 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . 0.408 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . 87.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 17' ' ' HIS . 1.4 t60 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.783 0.325 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.481 HD13 HG11 ' A' ' 149' ' ' VAL . 53.2 mt -66.79 -38.3 86.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -49.05 -43.84 41.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -61.06 -51.63 68.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.3 mmt -46.42 -21.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.455 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 83.9 mt-30 -95.56 -35.91 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -53.02 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -121.56 -40.68 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -163.43 12.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -144.14 112.48 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -97.84 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.918 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -119.39 128.33 53.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -118.42 112.2 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -106.42 162.42 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -100.53 113.05 25.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 111' ' ' VAL . 33.2 m -149.5 164.19 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -106.91 164.25 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.47 108.88 16.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.476 HD13 HG12 ' A' ' 167' ' ' VAL . 7.7 mp -67.75 -51.34 50.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.04 -175.87 33.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.496 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -101.22 105.18 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.631 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.9 OUTLIER -113.33 119.36 42.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.631 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.8 144.99 55.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -114.27 165.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -94.64 -26.36 16.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -125.74 145.26 50.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -18.94 36.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.746 2.297 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.91 HG12 ' HB2' ' A' ' 142' ' ' PHE . 27.1 m -145.7 177.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.96 146.56 14.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.4 mmt -78.8 -53.9 6.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -51.73 -20.72 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.5 m -88.76 -48.42 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.479 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -61.93 -56.54 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' SER . 6.6 m-80 -47.76 -52.49 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 93' ' ' ASN . 23.2 t -38.42 -42.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -62.15 -58.79 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.427 ' HA ' HG21 ' A' ' 167' ' ' VAL . 77.0 mt -35.95 -62.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.26 -48.54 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.599 ' O ' HG22 ' A' ' 101' ' ' THR . 11.5 t-20 -42.65 -60.37 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.04 -43.56 91.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 mtt -46.1 -44.22 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 98' ' ' ASN . 12.4 t -80.62 -21.61 41.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.3 m -72.59 -39.87 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.75 179.66 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.7 m -104.57 163.09 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.34 -41.92 73.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.26 -35.99 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -49.9 -36.4 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -61.86 120.29 55.77 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.478 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.3 Cg_endo -69.8 134.55 28.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -61.91 114.96 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 75' ' ' VAL . 17.6 m -121.95 176.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -133.62 140.75 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.51 105.27 17.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -93.07 96.61 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.09 113.44 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.16 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.7 t0 62.34 47.36 5.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 56.47 40.09 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -131.16 119.17 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.92 99.51 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.1 m -113.76 114.56 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.36 104.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 131' ' ' VAL . 6.8 mm -100.61 135.92 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -53.34 157.05 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -97.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.54 125.51 22.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -93.07 -26.6 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -102.14 26.52 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.6 tp10 -85.66 -30.48 23.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.641 ' O ' HG22 ' A' ' 131' ' ' VAL . 8.6 p 33.5 49.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 131' ' ' VAL . 78.8 mt -36.08 -41.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.72 140.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -123.48 103.21 8.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.1 t -117.7 151.03 38.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 137' ' ' VAL . 84.3 mtt180 -129.15 121.19 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 136' ' ' ARG . 83.9 t -35.43 -53.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 138' ' ' ARG . 14.0 mtp-105 -39.23 -45.65 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.4 -41.14 63.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.3 tt -39.92 113.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.9 p -89.84 -48.03 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.91 ' HB2' HG12 ' A' ' 87' ' ' VAL . 38.7 t80 -148.74 147.27 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.5 ' HB3' HD21 ' A' ' 140' ' ' LEU . 2.7 ptt? -145.57 146.31 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.04 -179.82 39.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 6.5 m -115.94 150.06 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.167 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -82.77 -178.13 52.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 146' ' ' GLY . 48.9 mtpt -35.71 -46.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.29 113.2 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.1 m -38.6 -44.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.493 ' N ' HG23 ' A' ' 149' ' ' VAL . 79.3 m80 -35.22 -42.77 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 65.1 p -82.09 133.25 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -134.03 113.95 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.654 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -126.85 156.65 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -146.25 146.23 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.7 mt -100.62 121.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.2 ptm -121.31 165.5 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -104.53 120.72 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.6 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -133.91 118.24 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.434 ' CD ' ' SD ' ' A' ' 80' ' ' MET . 56.6 mt-10 -113.11 146.95 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.2 t -118.61 114.96 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 168' ' ' PHE . 95.9 m-70 -104.89 107.62 18.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 153' ' ' ALA . 30.1 t -87.52 151.45 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 76.1 m-85 -151.23 142.1 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -94.21 130.25 40.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.8 m -115.06 152.0 33.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 31.1 mt-10 -140.43 134.94 15.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.82 -48.16 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.33 0.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -120.48 179.88 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.47 34.06 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -81.8 -47.85 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -68.74 -30.02 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.26 -49.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.8 p -57.23 -37.98 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 180' ' ' ALA . 9.3 pt-20 -76.46 -38.2 55.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 179' ' ' GLU . . . -59.29 -44.99 92.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 182' ' ' GLN . 14.8 p -75.4 -42.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.45 ' N ' HG13 ' A' ' 181' ' ' VAL . 23.5 tt0 -51.94 -54.9 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.34 -49.51 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -43.55 -46.43 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 175' ' ' ALA . 16.6 mt -58.72 -49.83 76.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -38.82 -51.72 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -57.11 -44.38 83.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.6 mtt -59.15 -30.4 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.554 ' HG2' HG23 ' A' ' 145' ' ' VAL . 53.7 mt-30 -83.81 -32.66 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -60.38 -63.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.73 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -165.54 14.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -130.67 105.79 8.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -89.68 140.92 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' A' ' 116' ' ' ALA . 6.4 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.732 0.301 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.28 134.47 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -123.95 115.15 20.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 180' ' ' ALA . 84.2 m-85 -113.68 154.07 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.93 114.7 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -150.7 159.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -101.14 161.13 13.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -113.91 99.97 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 6.7 mp -55.38 -55.27 33.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.17 -170.9 37.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.1 ttp -103.06 131.14 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.15 116.63 6.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 150.78 68.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.83 154.07 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.28 -31.31 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -123.15 145.03 44.96 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.746 . . . . 0.0 110.812 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -20.67 34.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.43 169.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.7 125.85 4.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.5 mmt -59.01 -60.2 4.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -43.91 -40.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.7 m -66.59 -52.57 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 92' ' ' LEU . 8.1 tt -61.12 -57.91 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.516 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.1 m-80 -47.3 -52.98 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -38.75 -49.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.67 71.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 93' ' ' ASN . 82.2 mt -46.73 -57.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.97 -39.36 85.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 101' ' ' THR . 6.7 t-20 -51.78 -54.35 29.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.95 -42.88 69.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.5 mtt -45.64 -42.83 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 98' ' ' ASN . 15.0 t -80.61 -21.5 41.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.8 t -74.96 -49.19 20.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.4 m -121.55 171.83 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.5 m -97.66 163.21 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 17.9 tttm -56.01 -39.06 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -78.31 -42.32 31.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -45.0 -41.43 7.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 5.6 m0 -55.32 123.36 48.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.494 0.664 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 134.6 28.37 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 m -70.97 107.48 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.08 175.1 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -125.4 134.36 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.9 tpp -86.35 104.44 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -89.65 97.31 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.45 102.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.703 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.39 147.25 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.5 t0 43.31 50.5 5.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.44 44.96 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -136.21 111.59 9.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.69 112.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.0 m -128.27 129.45 46.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.7 100.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.54 HD13 ' HA ' ' A' ' 131' ' ' VAL . 22.6 mm -100.28 130.1 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -51.02 147.98 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -51.2 -59.29 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -75.8 -72.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -54.82 143.91 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -111.84 -21.05 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.468 ' CD ' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -107.18 34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.432 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 7.2 tp10 -95.65 -39.87 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.728 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.6 p 42.01 48.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 131' ' ' VAL . 89.2 mt -34.42 -44.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 84.5 t -137.95 141.9 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -127.09 113.11 15.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 t -134.67 149.23 50.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 137' ' ' VAL . 54.7 mtt85 -118.24 127.28 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 136' ' ' ARG . 86.5 t -37.51 -57.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 138' ' ' ARG . 10.9 mtp-105 -40.45 -51.43 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.1 -39.9 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.97 110.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.0 p -79.3 -53.84 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 143' ' ' MET . 33.4 t80 -154.0 157.18 38.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.424 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.9 OUTLIER -153.1 159.27 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.55 -174.2 39.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.554 HG23 ' HG2' ' A' ' 22' ' ' GLN . 34.6 m -115.25 157.26 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -89.45 177.99 44.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 146' ' ' GLY . 55.0 mmtt -34.99 -41.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -107.05 113.96 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.1 m -38.08 -42.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.462 ' N ' HG23 ' A' ' 149' ' ' VAL . 60.7 m80 -40.82 -46.65 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 81.7 p -78.52 126.34 30.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.436 ' CZ ' HG11 ' A' ' 181' ' ' VAL . 33.7 t80 -127.37 122.15 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.403 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -127.91 162.02 27.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.419 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.3 p90 -153.57 143.44 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 74.9 mt -96.27 130.99 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . 0.595 ' SD ' HG23 ' A' ' 158' ' ' THR . 3.1 ppp? -126.04 156.21 40.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.81 138.38 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.595 HG23 ' SD ' ' A' ' 156' ' ' MET . 37.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -136.93 121.85 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.432 ' OE2' ' CE1' ' A' ' 166' ' ' HIS . 14.6 tt0 -108.72 147.54 31.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.0 t -121.14 127.78 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.432 ' CE1' ' OE2' ' A' ' 164' ' ' GLU . 98.2 m-70 -116.27 110.66 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.417 HG21 ' HA ' ' A' ' 96' ' ' ILE . 11.9 t -88.02 154.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -150.65 162.04 41.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -114.79 140.65 48.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 75.1 m -121.29 155.29 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 85.3 mt-10 -142.23 130.19 11.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.7 -48.56 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.368 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -123.15 161.19 24.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -85.31 37.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -87.15 -31.39 20.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -84.16 -30.47 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 181' ' ' VAL . 76.3 t -82.17 -48.13 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.7 m -56.68 -38.91 72.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.49 -30.25 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . . . -70.94 -53.35 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 152' ' ' PHE . 5.2 p -63.47 -32.25 55.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.83 -46.44 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.3 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.792 0.329 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 173' ' ' ASN . 18.5 mt -59.83 -57.67 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' LEU . 43.4 m -37.88 -44.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -48.08 -58.25 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -45.4 -38.66 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.403 ' HG2' HG23 ' A' ' 145' ' ' VAL . 82.9 mt-30 -72.67 -39.12 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -53.69 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -125.85 -45.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.41 -157.25 15.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -139.98 105.49 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 0.0 110.937 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -92.42 153.4 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 58.6 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 116' ' ' ALA . 2.5 p . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.79 0.329 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -112.02 134.43 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -120.37 122.65 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.64 150.82 37.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.67 114.22 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.15 -178.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 46.8 mt-30 -113.04 163.61 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -122.21 102.95 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.633 HD13 HG12 ' A' ' 167' ' ' VAL . 6.5 mp -68.42 -38.61 81.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.58 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.562 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 6.0 ttp -94.42 124.54 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.531 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.9 OUTLIER -125.92 120.12 24.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.916 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.531 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.81 142.74 48.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.37 161.82 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -85.01 -34.55 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -124.04 150.62 63.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -18.88 36.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.605 HG12 ' CB ' ' A' ' 142' ' ' PHE . 33.6 m -142.98 170.05 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.89 128.92 3.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.29 -57.84 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.21 -53.23 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.2 m -51.47 -44.2 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.44 -52.1 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.42 -47.37 81.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -39.54 -49.1 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' ASN . . . -62.14 -58.22 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -42.41 -45.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 101' ' ' THR . 45.4 mt-10 -71.38 -30.37 66.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' ALA . 10.9 t-20 -65.84 -44.01 86.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 81' ' ' LEU . 19.3 mt -82.23 -33.96 29.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.402 ' CE ' HG21 ' A' ' 151' ' ' THR . 4.4 mmt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 97' ' ' GLU . 9.8 t -75.78 -23.65 55.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -65.25 -53.75 39.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 p -124.18 -177.95 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 75.4 m -100.87 166.79 10.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.471 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 33.7 tttm -59.36 -42.9 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -71.5 -42.9 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.47 -34.86 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 10.5 m0 -59.18 121.01 52.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.471 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.8 Cg_endo -69.7 130.56 19.62 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.2 p -60.51 120.23 9.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 109' ' ' PRO . 20.8 m -128.25 168.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -122.87 136.05 54.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 37.3 ttm -89.39 100.08 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 35.0 t-20 -86.14 96.5 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.4 t -100.13 105.46 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.525 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.48 140.51 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.5 t0 54.58 43.02 30.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.414 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 54.76 40.28 31.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 136' ' ' ARG . 49.7 m -134.7 119.08 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 135' ' ' CYS . 77.6 t -91.25 106.84 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.9 m -120.78 124.48 45.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 76.3 t -89.62 98.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 14.1 mm -94.32 137.11 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.8 t -53.52 158.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.42 -47.81 18.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -95.4 28.98 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.72 166.24 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 13.6 tt0 -129.13 -34.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.86 31.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.436 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 4.9 tp10 -96.65 -41.04 8.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.703 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.1 p 38.0 47.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 131' ' ' VAL . 80.4 mt -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 77.0 t -137.79 134.98 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.62 106.75 12.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' VAL . 42.1 t -123.55 139.89 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.465 ' HG2' HG23 ' A' ' 119' ' ' THR . 40.0 mtm180 -116.8 125.21 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 99.3 t -39.73 -51.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -42.04 -41.88 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -78.32 -35.74 47.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.425 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 tt -45.54 115.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.4 p -85.96 -51.12 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.605 ' CB ' HG12 ' A' ' 87' ' ' VAL . 12.9 t80 -151.35 142.63 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.499 ' HE1' HG22 ' A' ' 181' ' ' VAL . 3.2 ptt? -138.4 144.11 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -161.89 -157.75 9.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.403 HG23 ' HG2' ' A' ' 22' ' ' GLN . 27.1 m -126.88 176.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -112.71 -169.24 17.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.6 mtpp -35.0 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.58 120.9 41.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.436 ' HB ' HD22 ' A' ' 18' ' ' LEU . 27.6 m -44.17 -27.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -53.43 -43.55 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.402 HG21 ' CE ' ' A' ' 100' ' ' MET . 58.4 p -80.09 124.43 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.4 115.14 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.402 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -125.86 152.56 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.89 144.3 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.543 HD12 ' HD2' ' A' ' 142' ' ' PHE . 65.7 mt -98.59 115.87 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -118.96 171.71 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.406 ' C ' ' SD ' ' A' ' 156' ' ' MET . 0.5 OUTLIER -114.02 120.25 39.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.891 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -130.8 117.27 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -109.5 154.65 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.61 120.77 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.5 m-70 -105.41 120.07 40.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.633 HG12 HD13 ' A' ' 78' ' ' LEU . 45.9 t -96.66 137.63 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 82.6 m-85 -141.18 127.97 20.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -83.98 130.32 34.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.647 ' SG ' HG21 ' A' ' 177' ' ' VAL . 71.4 m -110.66 157.51 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 9.2 mm-40 -144.12 130.17 9.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.72 -48.76 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.306 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.492 ' HB2' HD11 ' A' ' 18' ' ' LEU . 45.1 p30 -119.06 173.79 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.47 35.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -58.34 -43.27 88.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.647 HG21 ' SG ' ' A' ' 170' ' ' CYS . 59.0 t -62.49 -61.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 58.1 m -55.55 -26.98 46.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -77.36 -48.71 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -54.92 -53.98 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.499 HG22 ' HE1' ' A' ' 143' ' ' MET . 7.6 p -55.94 -44.62 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.466 ' N ' HG13 ' A' ' 181' ' ' VAL . 35.3 mt-30 -51.04 -50.69 58.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -56.17 -38.12 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 181' ' ' VAL . . . -52.62 -46.91 67.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.84 0.352 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 175' ' ' ALA . 15.1 mt -62.62 -32.96 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -52.98 -56.23 17.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -47.16 -48.92 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 mtt -53.99 -35.39 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -75.86 -41.8 51.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -52.99 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -124.52 -47.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.71 -166.13 12.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -123.38 106.74 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.938 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -95.05 148.41 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 116' ' ' ALA . 48.6 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.824 0.345 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -100.58 128.51 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -123.98 116.59 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.07 155.37 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.59 126.41 44.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.3 m -154.04 173.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 37.7 mt-30 -109.45 153.81 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -111.63 101.99 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.48 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.2 mp -65.24 -43.1 92.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.489 ' O ' HD11 ' A' ' 99' ' ' LEU . . . 142.83 174.44 15.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.525 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 15.1 ttp -93.14 130.24 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -126.7 121.26 23.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.907 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.526 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.73 134.79 28.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.65 164.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.57 -23.24 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -120.5 144.09 37.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 54.0 Cg_endo -69.68 -24.77 29.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -142.51 177.53 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.95 10.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -78.29 -57.25 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.51 -21.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.7 m -88.69 -48.52 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 92' ' ' LEU . 9.2 tt -63.36 -44.58 94.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -61.58 -55.49 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -40.57 -45.27 2.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.1 -50.93 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' A' ' 167' ' ' VAL . 90.0 mt -46.54 -62.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.28 -43.88 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -48.48 -52.17 23.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 79' ' ' GLY . 87.8 mt -70.5 -40.72 73.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.3 mtt -51.78 -45.66 63.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -19.56 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.2 t -71.46 -45.45 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -135.52 178.02 7.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.432 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 1.2 m -98.53 166.07 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.1 tttm -59.9 -30.37 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -78.42 -37.05 44.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.03 -33.47 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.487 ' CD2' ' HA ' ' A' ' 105' ' ' LYS . 5.3 m0 -63.93 117.22 33.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.526 0.679 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.501 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.6 Cg_endo -69.73 126.34 13.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.4 m -62.73 111.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 109' ' ' PRO . 5.8 m -112.63 -176.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -131.07 138.76 49.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 21.3 ttm -93.3 110.24 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 114' ' ' ASN . 28.5 t-20 -93.88 97.17 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.38 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.829 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -149.19 142.92 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.8 t0 52.01 38.4 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 55.94 40.2 30.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 16.9 m -131.77 117.6 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.73 107.71 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.449 ' CG2' HG23 ' A' ' 131' ' ' VAL . 38.6 m -124.53 125.15 43.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.4 t -89.68 101.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.3 mm -96.6 139.44 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -58.83 153.78 16.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.44 -48.98 53.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 19.0 pttm -79.31 -50.5 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 50.2 m-20 -88.3 146.85 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -105.18 -32.34 8.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.15 40.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -100.24 -33.2 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.629 ' O ' HG22 ' A' ' 131' ' ' VAL . 10.9 p 34.13 48.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 131' ' ' VAL . 88.1 mt -34.51 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 74.2 t -143.68 138.93 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -122.61 110.58 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.47 152.29 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -128.29 128.79 45.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 118' ' ' ALA . 84.9 t -40.34 -46.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -50.71 -41.22 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' A' ' 157' ' ' ASP . 8.9 m-85 -76.68 -36.54 57.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.1 tt -45.36 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.4 p -72.28 -46.18 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -154.67 155.55 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.735 ' HB3' HD21 ' A' ' 140' ' ' LEU . 1.8 ptt? -151.19 155.08 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -170.14 -168.81 32.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.48 165.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -95.44 178.06 35.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 146' ' ' GLY . 16.8 ptmt -36.71 -36.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.19 120.73 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 14.5 m -45.61 -30.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 70.3 m80 -52.84 -38.65 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.442 ' CG2' ' CZ3' ' A' ' 169' ' ' TRP . 54.9 p -86.64 134.62 33.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -136.12 115.82 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -121.78 159.26 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.421 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.6 p90 -147.31 145.59 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 91.0 mt -101.03 133.55 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . 0.504 ' SD ' HG22 ' A' ' 158' ' ' THR . 2.2 ppp? -130.79 164.48 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' A' ' 139' ' ' PHE . 5.2 p-10 -105.74 123.07 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.504 HG22 ' SD ' ' A' ' 156' ' ' MET . 6.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 86' ' ' PRO . 9.6 m-85 -137.82 134.75 35.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -120.01 150.12 41.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.1 t -117.46 109.99 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.525 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 96.8 m-70 -96.79 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.52 HG21 ' HA ' ' A' ' 96' ' ' ILE . 10.6 t -96.82 136.16 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.444 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 54.5 m-85 -136.22 153.87 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.442 ' CZ3' ' CG2' ' A' ' 151' ' ' THR . 29.6 t-105 -103.4 129.61 50.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 177' ' ' VAL . 83.7 m -114.93 152.07 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.557 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 29.1 mt-10 -142.72 139.63 17.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.348 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -121.91 161.58 22.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.85 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -69.9 -46.35 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.07 -43.47 71.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.626 HG21 ' SG ' ' A' ' 170' ' ' CYS . 69.2 t -67.2 -61.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.0 p -54.88 -17.28 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.13 -46.43 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.69 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -80.4 -36.81 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -60.45 -46.09 91.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.71 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -55.09 -46.87 75.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -55.1 -45.02 75.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.6 t -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -54.36 -54.72 36.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.5 mmt -45.02 -37.66 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -79.78 -41.17 27.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -50.77 -58.13 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -130.02 -45.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.31 -167.8 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.422 ' CD2' ' NE2' ' A' ' 182' ' ' GLN . 26.0 t80 -134.88 114.76 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.952 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -103.22 155.14 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.588 HG23 ' HB2' ' A' ' 116' ' ' ALA . 4.3 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.75 0.31 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.93 126.19 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -116.96 120.85 39.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.24 159.74 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -102.09 121.42 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -154.58 173.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -111.63 160.3 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CD1' ' CE1' ' A' ' 168' ' ' PHE . 14.3 t80 -120.03 103.62 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mp -65.43 -49.62 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.69 167.29 14.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.561 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 14.4 ttp -78.38 124.91 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.56 HD23 ' CD2' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -127.5 117.27 21.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.409 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.78 149.87 67.31 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 m -127.7 158.58 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.09 -36.77 34.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -119.81 149.85 49.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.71 37.52 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.63 HG12 ' CB ' ' A' ' 142' ' ' PHE . 18.5 m -145.41 173.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.88 117.36 3.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -56.08 -55.46 32.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.2 -35.13 3.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -77.16 -50.61 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 153' ' ' ALA . 6.6 tt -57.42 -53.78 54.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.407 ' HA ' HD12 ' A' ' 96' ' ' ILE . 6.4 m-80 -55.72 -35.34 66.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -65.56 -45.99 81.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.55 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.5 ' HA ' HG21 ' A' ' 167' ' ' VAL . 90.5 mt -55.9 -53.36 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -60.71 -42.37 97.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -45.98 -36.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.56 ' CD2' HD23 ' A' ' 81' ' ' LEU . 32.2 mt -86.85 -48.49 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.67 -34.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -87.02 -39.91 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.9 p -58.73 -34.06 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -140.75 154.89 46.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.455 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 40.4 m -84.44 159.59 20.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.546 ' HA ' ' CH2' ' A' ' 108' ' ' TRP . 79.4 tttt -49.83 -45.21 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -71.89 -44.84 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.92 -39.76 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.546 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 2.8 m0 -58.77 119.96 41.72 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.553 0.692 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.77 13.72 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.1 m -59.79 117.26 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.38 178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -131.23 141.21 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.0 tpp -93.99 107.65 19.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -94.55 98.38 10.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 84.7 t -103.73 110.71 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.588 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -152.37 133.93 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 t0 56.07 44.02 26.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.406 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 56.68 42.11 27.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -134.44 113.97 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -92.01 102.41 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.548 ' CG2' HG23 ' A' ' 131' ' ' VAL . 28.8 m -117.6 119.72 35.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.9 97.82 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 131' ' ' VAL . 13.2 mm -93.52 133.32 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -58.52 147.73 30.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.1 -55.17 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -69.78 -63.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -78.52 138.38 38.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -97.66 -35.14 10.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.07 41.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -99.55 -32.48 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.679 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.7 p 35.31 48.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' VAL . 71.5 mt -35.55 -44.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.6 t -137.89 140.51 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -125.75 109.21 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 42.5 t -128.27 150.62 49.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 137' ' ' VAL . 50.4 mtt85 -125.83 121.63 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.682 HG11 ' HA ' ' A' ' 185' ' ' CYS . 57.9 t -34.43 -46.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -46.36 -49.38 17.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -71.14 -36.88 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.7 tt -39.12 118.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 77.6 p -88.41 -50.66 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.63 ' CB ' HG12 ' A' ' 87' ' ' VAL . 35.2 t80 -151.75 155.82 39.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 3.5 ptp -145.76 144.88 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -167.53 171.87 42.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.3 m -107.32 157.24 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.451 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -89.22 -177.95 45.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.6 OUTLIER -35.92 -44.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.67 119.13 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.04 -23.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -60.02 -40.42 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 45.6 p -80.88 129.32 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -135.54 114.46 12.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.581 ' HB2' ' HA ' ' A' ' 167' ' ' VAL . . . -125.46 167.98 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -150.79 140.03 21.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.25 121.04 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 8.9 ptm -118.8 167.27 11.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -106.15 105.51 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.4 mpt_? . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.28 124.84 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -116.83 147.1 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 51.8 t -115.05 106.48 14.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.1 m-70 -97.0 107.6 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.581 ' HA ' ' HB2' ' A' ' 153' ' ' ALA . 11.6 t -89.16 148.29 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 84.0 m-85 -148.85 136.29 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -89.06 139.65 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.7 ' SG ' HG21 ' A' ' 177' ' ' VAL . 69.8 m -121.62 161.68 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 18.4 mt-10 -149.77 131.73 7.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.74 . . . . 0.0 110.934 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.9 Cg_endo -69.77 -49.43 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.366 0.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -120.5 172.21 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.55 40.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -83.92 -56.72 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -61.55 -39.99 93.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.7 HG21 ' SG ' ' A' ' 170' ' ' CYS . 93.1 t -63.93 -59.9 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.9 m -55.8 -42.41 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.94 -50.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.54 -60.14 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 182' ' ' GLN . 6.2 p -53.98 -42.56 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.422 ' NE2' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -47.11 -44.72 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.82 -46.84 86.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -51.66 -44.61 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . 0.682 ' HA ' HG11 ' A' ' 137' ' ' VAL . 73.8 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.6 t60 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.656 HD13 HG11 ' A' ' 149' ' ' VAL . 59.2 mt -61.16 -63.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' LEU . 16.2 p -35.87 -41.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -61.33 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.2 mmt -50.18 -21.77 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -95.93 -33.57 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.17 -73.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' ND2' ' N ' ' A' ' 24' ' ' ASN . 0.7 OUTLIER -106.77 -37.55 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.34 -174.24 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -117.65 96.69 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -89.71 142.72 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.885 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 116' ' ' ALA . 3.0 p . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.8 0.333 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.49 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 27.2 mt-30 -116.03 147.44 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -129.93 119.31 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 26.6 m-85 -119.27 158.43 26.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -99.2 121.24 40.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -147.73 177.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -117.44 154.56 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CD1' ' CE2' ' A' ' 168' ' ' PHE . 11.0 t80 -110.32 107.03 16.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.489 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.3 mp -70.42 -37.66 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.62 -172.05 22.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.574 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 9.1 tmm? -104.96 129.76 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 82' ' ' PRO . 1.4 tm? -126.55 123.67 24.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.58 0.705 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.685 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.78 137.58 35.74 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -119.34 178.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -113.49 -24.19 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -119.53 144.63 37.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -21.97 33.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.609 HG12 ' CB ' ' A' ' 142' ' ' PHE . 23.2 m -144.83 176.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.81 139.49 5.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.454 ' CE ' ' HA ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -72.68 -53.75 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -55.95 -44.39 78.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.3 m -60.5 -55.77 29.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 92' ' ' LEU . 5.6 tt -57.5 -50.28 73.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.406 ' N ' HD23 ' A' ' 92' ' ' LEU . 67.6 m-20 -62.32 -36.94 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.6 t -51.93 -37.11 51.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -70.71 -46.91 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.508 ' HA ' HG21 ' A' ' 167' ' ' VAL . 91.7 mt -40.67 -58.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.84 -47.14 85.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 101' ' ' THR . 10.3 t-20 -47.31 -47.71 25.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 81' ' ' LEU . 58.7 mt -74.91 -48.54 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 mtt -44.0 -39.27 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 98' ' ' ASN . 14.6 t -80.49 -25.0 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' LEU . 32.5 t -69.24 -39.48 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -135.1 160.43 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.485 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.2 t -79.6 173.28 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -71.94 -12.83 61.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -95.82 -37.81 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.39 -24.89 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.489 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 8.8 m0 -71.24 116.11 43.62 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.95 22.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.733 2.289 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.4 m -66.98 104.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 m -107.29 167.26 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -115.97 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 22.5 tpp -87.39 113.33 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.423 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 16.8 t-20 -98.96 98.28 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.78 99.04 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.617 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -139.25 132.31 29.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 t70 55.2 37.45 28.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 64.03 36.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 136' ' ' ARG . 50.3 m -126.59 114.78 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.99 96.4 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.1 m -109.56 110.88 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 93.4 t -77.46 91.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.7 mm -88.35 142.13 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -62.73 160.39 14.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.38 -28.09 27.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -98.49 4.58 48.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -148.43 163.64 36.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.94 -13.35 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.45 16.03 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' VAL . 10.9 tp10 -77.5 -31.09 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.712 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.4 p 34.1 47.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' VAL . 75.5 mt -35.55 -43.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 67.6 t -142.29 135.04 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -115.31 99.71 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -114.43 149.11 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.593 ' HG2' HG23 ' A' ' 119' ' ' THR . 25.6 mtp180 -136.42 147.45 47.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 118' ' ' ALA . 5.4 t -72.24 -2.14 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -75.23 -35.31 61.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 136' ' ' ARG . 34.4 p90 -120.49 23.64 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 143' ' ' MET . 8.6 tt -78.71 85.23 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.6 p -39.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.609 ' CB ' HG12 ' A' ' 87' ' ' VAL . 12.0 t80 -151.03 152.27 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.56 ' HB3' HD21 ' A' ' 140' ' ' LEU . 2.6 ptt? -134.66 149.8 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.8 167.72 40.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.1 m -101.77 165.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.11 -173.47 40.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -39.99 -37.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -110.85 127.15 55.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.656 HG11 HD13 ' A' ' 18' ' ' LEU . 22.6 m -49.39 -19.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.517 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 26.0 m80 -63.84 -37.68 88.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.4 p -83.92 127.36 33.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -133.47 115.21 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.2 173.7 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.5 p90 -164.17 145.06 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 164' ' ' GLU . 66.3 mt -99.74 138.7 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.8 ptm -149.07 156.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.14 136.6 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -126.91 122.89 35.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 155' ' ' ILE . 15.3 mm-40 -107.13 169.35 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.85 100.12 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 97.7 m-70 -93.93 124.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 96' ' ' ILE . 15.2 t -105.98 154.68 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.452 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 89.3 m-85 -155.14 143.58 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.517 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 30.3 t-105 -99.76 130.78 46.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.4 m -114.03 163.04 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.544 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 61.6 mt-10 -150.7 136.95 10.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.76 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.321 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -125.52 159.41 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -83.25 36.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.81 -44.97 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -74.08 -46.12 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.11 -60.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.8 p -51.92 -39.28 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.4 -44.48 95.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.21 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.02 -37.36 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -61.06 -49.04 78.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.08 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -64.8 -40.15 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 175' ' ' ALA . 29.0 mt -77.25 -42.16 38.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 m -39.9 -55.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -53.96 -53.24 55.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.5 mmt -47.69 -22.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.482 ' CD ' HG23 ' A' ' 145' ' ' VAL . 13.4 mm-40 -95.96 -38.46 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.34 -64.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -124.09 -40.73 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.95 -154.24 16.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 182' ' ' GLN . 33.1 t80 -140.22 107.33 5.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -89.31 149.58 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 49.9 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.439 HG21 ' OD1' ' A' ' 114' ' ' ASN . 2.2 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.714 0.292 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -114.69 126.3 54.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -120.71 161.72 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.49 120.31 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.85 -176.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -121.73 160.85 23.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.91 111.96 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.8 mp -72.22 -43.66 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.03 -175.99 28.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.44 ' HG2' ' CD ' ' A' ' 164' ' ' GLU . 11.7 ttp -99.4 118.99 37.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -129.38 114.9 18.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.967 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.77 161.51 45.66 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.16 164.86 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -89.58 -31.22 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.72 152.5 77.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -20.4 34.72 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.635 HG12 ' CB ' ' A' ' 142' ' ' PHE . 26.3 m -139.53 176.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.02 125.07 4.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -59.68 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -44.66 -36.37 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.7 m -73.71 -53.39 10.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.8 -52.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' SER . 25.7 m-20 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 47.2 t -36.74 -45.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -61.1 -56.87 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' ALA . 69.2 mt -36.37 -53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 97' ' ' GLU . 5.7 mp0 -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -44.61 -53.65 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 81' ' ' LEU . 54.6 mt -69.87 -42.32 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.7 mmt -46.25 -51.73 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -78.25 -19.33 53.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -62.6 -48.3 80.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -136.31 179.02 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.3 m -95.85 166.69 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.594 ' HD2' ' CZ3' ' A' ' 108' ' ' TRP . 17.6 tptp -61.87 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -73.29 -29.15 62.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -67.09 -21.01 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CZ3' ' HD2' ' A' ' 105' ' ' LYS . 13.7 m0 -78.7 115.49 52.23 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.56 0.695 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.98 46.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.9 m -70.49 131.49 44.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.61 162.83 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -115.72 130.19 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 27.8 tpp -85.71 106.5 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.439 ' OD1' HG21 ' A' ' 70' ' ' VAL . 30.6 t30 -95.33 97.64 9.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.22 103.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.31 141.04 35.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 49.75 41.8 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 59.26 36.8 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.4 m -128.4 119.75 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.47 102.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -116.69 117.75 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 65.2 t -86.26 106.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.4 mm -99.64 143.57 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -79.36 148.68 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -41.58 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -59.87 -59.25 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -122.65 145.65 48.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 1.8 mp0 -88.55 -20.39 25.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -95.01 36.13 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.515 ' OE2' HD23 ' A' ' 132' ' ' LEU . 21.0 tp10 -104.22 -30.7 10.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.676 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.2 p 35.08 52.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.515 HD23 ' OE2' ' A' ' 130' ' ' GLU . 74.1 mt -36.65 -43.23 0.4 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.9 t -142.81 134.73 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -121.03 103.48 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -120.09 140.16 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -116.72 123.59 47.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 118' ' ' ALA . 60.2 t -42.92 -43.15 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -49.2 -45.63 44.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.06 -34.78 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.428 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.0 tt -46.54 125.94 7.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.418 ' N ' HD23 ' A' ' 140' ' ' LEU . 30.7 p -95.59 -59.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.635 ' CB ' HG12 ' A' ' 87' ' ' VAL . 30.6 t80 -144.72 153.67 41.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -153.78 163.91 39.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.04 -167.15 35.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.482 HG23 ' CD ' ' A' ' 22' ' ' GLN . 17.4 m -119.62 156.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -90.14 178.13 43.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.7 OUTLIER -34.59 -42.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -103.79 115.33 30.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.0 m -42.47 -37.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -45.65 -41.08 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 35.9 p -78.27 135.79 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.09 117.04 11.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -130.18 165.1 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -152.07 145.18 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 72.6 mt -95.78 124.84 48.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.1 ptm -125.88 166.51 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 123.78 50.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.428 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 3.4 mmp_? . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.826 0.346 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -137.49 117.24 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.455 ' OE1' ' CE1' ' A' ' 166' ' ' HIS . 4.1 tm-20 -106.98 156.35 18.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 164' ' ' GLU . 4.6 t -125.04 125.33 43.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.455 ' CE1' ' OE1' ' A' ' 164' ' ' GLU . 97.4 m-70 -113.74 113.06 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 153' ' ' ALA . 24.8 t -90.19 149.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -147.43 138.3 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.495 ' CE2' ' HE2' ' A' ' 105' ' ' LYS . 51.1 t-105 -91.35 134.08 34.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 174' ' ' ALA . 75.8 m -111.11 150.16 29.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.7 mt-10 -137.47 127.34 15.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -49.96 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.307 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' A' ' 175' ' ' ALA . 35.5 p-10 -123.1 169.52 11.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 170' ' ' CYS . . . -93.46 36.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.491 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -69.53 -45.99 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -79.92 -54.52 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 86.1 t -43.31 -62.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.2 t -60.71 -28.96 69.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.31 -29.18 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -73.27 -52.24 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.55 -35.62 73.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.569 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 33.4 tt0 -57.49 -47.6 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -45.82 -41.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t60 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 175' ' ' ALA . 13.7 mt -57.38 -52.83 63.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' LEU . 64.8 m -35.13 -49.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -56.69 -46.6 81.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 mtt -53.94 -38.92 65.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.458 ' HG2' HG23 ' A' ' 145' ' ' VAL . 80.2 mt-30 -68.37 -41.18 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -49.59 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -130.04 -41.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.77 177.12 18.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -130.68 95.74 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -72.61 176.98 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.916 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.431 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 37.2 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 116' ' ' ALA . 3.2 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.805 0.336 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -107.52 142.55 37.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -132.64 109.9 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.68 152.4 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.517 ' O ' HG13 ' A' ' 75' ' ' VAL . 3.1 tmt_? -92.21 128.59 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 74' ' ' ARG . 28.4 m -160.31 175.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -120.28 152.62 37.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -103.74 117.95 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.03 -57.5 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.16 -171.02 42.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.472 ' HE1' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -109.42 100.28 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.735 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -106.01 122.58 41.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.675 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.74 156.59 63.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.459 HG13 ' HB2' ' A' ' 165' ' ' CYS . 11.4 m -128.29 153.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -85.42 -30.61 23.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -124.46 150.48 64.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.08 30.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.882 HG12 ' HB2' ' A' ' 142' ' ' PHE . 23.8 m -140.71 164.98 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.62 121.26 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmt -53.97 -57.92 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.319 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.38 -46.78 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.2 m -61.16 -43.77 98.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.712 HD13 ' HE2' ' A' ' 142' ' ' PHE . 5.3 tp -60.95 -54.62 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.33 -53.44 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -38.55 -46.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.7 -55.12 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.457 ' HA ' HG21 ' A' ' 167' ' ' VAL . 59.9 mt -38.23 -68.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.97 -52.67 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.98 -42.37 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 81' ' ' LEU . 84.1 mt -80.92 -40.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 12.1 mtp -49.68 -45.72 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 t -77.69 -29.66 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.1 m -61.27 -51.93 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -118.82 177.82 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -101.85 156.8 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 66.2 tttt -52.41 -45.28 65.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -43.73 -39.48 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 9.2 m0 -56.08 123.07 52.03 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 140.68 43.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.353 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.5 p -67.36 119.46 12.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.452 HG23 HG23 ' A' ' 75' ' ' VAL . 30.6 m -131.13 173.28 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -131.87 152.83 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.1 ttm -101.13 104.2 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 31.4 t-20 -90.39 97.05 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.3 110.1 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.579 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -150.93 126.86 10.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.1 t0 62.65 37.35 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 62.0 43.16 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -132.3 115.53 15.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.9 t -90.1 101.13 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.7 m -116.77 119.22 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.503 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 62.3 t -85.62 105.25 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 131' ' ' VAL . 15.3 mm -103.23 129.88 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -53.26 139.34 29.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -65.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -69.98 -71.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -58.44 131.04 49.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.86 -28.1 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -102.48 40.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.417 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 7.2 tp10 -98.66 -38.43 9.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.682 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.6 p 40.67 47.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.417 ' HG ' ' CG ' ' A' ' 130' ' ' GLU . 67.9 mt -37.39 -47.42 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.6 t -134.47 139.33 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -125.06 105.09 8.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.9 t -124.04 151.99 43.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 139' ' ' PHE . 27.1 mtp180 -127.74 128.4 45.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 136' ' ' ARG . 90.9 t -37.47 -47.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -51.39 -43.37 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 22.5 m-85 -74.66 -32.84 62.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 tt -43.06 137.41 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.43 ' OG ' HG22 ' A' ' 155' ' ' ILE . 80.5 p -108.6 -41.95 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.882 ' HB2' HG12 ' A' ' 87' ' ' VAL . 15.0 t80 -155.0 165.12 37.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.565 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 4.5 ptp -159.11 152.14 22.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -178.8 -156.49 17.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 22' ' ' GLN . 12.3 m -138.46 155.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -85.21 -178.89 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.8 mtmm -35.36 -42.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.3 121.7 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.4 ' HB ' HD13 ' A' ' 18' ' ' LEU . 26.3 m -44.22 -26.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 76.4 m80 -53.95 -41.74 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 76.2 p -84.78 124.71 31.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -128.72 116.88 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.416 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -122.86 166.25 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 20.9 p90 -151.24 137.27 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.43 HG22 ' OG ' ' A' ' 141' ' ' SER . 74.2 mt -96.45 124.93 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.7 ptm -122.17 166.88 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.18 115.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.409 HG21 ' OE1' ' A' ' 164' ' ' GLU . 68.1 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.901 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.409 ' OE1' HG21 ' A' ' 158' ' ' THR . 84.1 mt-10 -107.75 146.25 32.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.459 ' HB2' HG13 ' A' ' 83' ' ' VAL . 7.9 t -114.31 116.54 29.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 168' ' ' PHE . 93.3 m-70 -109.1 109.72 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' A' ' 96' ' ' ILE . 17.9 t -89.58 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.503 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 95.3 m-85 -143.93 136.97 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -86.19 136.34 33.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.78 148.6 45.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 23.4 mm-40 -139.92 134.13 15.73 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.7 -48.32 0.27 Allowed 'Cis proline' 0 C--N 1.34 0.117 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.347 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -118.13 176.99 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -104.33 38.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.576 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -83.23 -61.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -54.18 -40.01 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.5 t -68.51 -50.93 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.5 m -58.58 -55.0 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -58.23 -38.18 76.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -59.28 -60.31 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 182' ' ' GLN . 14.7 p -61.05 -40.84 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.439 ' N ' HG13 ' A' ' 181' ' ' VAL . 11.8 tt0 -58.51 -50.69 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.49 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.27 98.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 99.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.56 HD13 ' HB ' ' A' ' 149' ' ' VAL . 17.7 mt -64.27 -51.55 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' GLN . 16.3 m -40.36 -51.29 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -40.49 -40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.54 ' HE1' ' HB3' ' A' ' 178' ' ' SER . 6.5 mtt -61.33 -39.29 89.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' SER . 94.4 mt-30 -72.31 -27.1 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -60.33 -63.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -124.07 -48.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.59 -176.64 16.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 182' ' ' GLN . 31.7 t80 -122.42 102.57 8.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -85.45 158.3 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.839 -179.907 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.8 0.333 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 27.0 mt-30 -104.03 119.94 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -107.8 120.33 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 94.7 m-85 -116.97 153.43 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -99.16 118.12 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -150.59 171.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -107.9 162.29 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -118.87 106.52 12.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.456 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.3 mp -69.42 -36.73 76.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.9 -172.88 22.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.521 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.553 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 15.3 ttp -99.58 139.01 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -141.77 117.8 7.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.949 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.486 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.79 147.87 63.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 m -123.86 177.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -107.02 -28.43 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -122.69 146.22 47.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.457 ' O ' HG21 ' A' ' 155' ' ' ILE . 54.2 Cg_endo -69.73 -19.99 35.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.617 HG12 ' HB3' ' A' ' 142' ' ' PHE . 20.2 m -141.69 167.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.5 124.45 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.9 mmm -59.41 -52.6 64.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.39 -47.46 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.5 m -57.63 -56.93 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 93' ' ' ASN . 7.0 tt -61.47 -62.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.577 ' N ' HD23 ' A' ' 92' ' ' LEU . 15.9 m-20 -43.2 -43.84 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -48.04 -48.93 32.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -55.33 -46.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.604 ' HA ' HG21 ' A' ' 167' ' ' VAL . 68.7 mt -46.54 -52.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.75 -35.74 82.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.9 -45.84 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.497 ' CD2' HD23 ' A' ' 81' ' ' LEU . 84.6 mt -76.87 -39.74 50.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.1 mtt -48.73 -50.39 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 t -72.15 -18.2 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t -70.23 -50.03 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.6 m -127.27 165.93 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.6 m -88.21 157.6 18.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.487 ' HA ' ' CE3' ' A' ' 108' ' ' TRP . 58.8 tttt -49.62 -46.8 49.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.6 -44.99 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.33 -26.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.487 ' CE3' ' HA ' ' A' ' 105' ' ' LYS . 31.0 m0 -66.86 121.33 77.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 122.2 8.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.1 m -63.01 108.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.4 m -111.08 170.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -118.34 141.21 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.8 tpp -96.06 108.65 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -95.61 99.11 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.02 108.89 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.48 134.8 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 t70 56.28 37.37 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.443 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 65.44 32.26 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 84.7 m -121.74 120.79 35.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.76 99.66 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.524 ' CG2' HG23 ' A' ' 131' ' ' VAL . 24.5 m -114.86 120.45 40.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -85.16 94.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.2 mm -89.78 136.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.3 t -50.54 168.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.34 -49.61 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -113.55 -59.54 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.83 108.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 2.1 tp10 -86.49 -13.95 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.73 19.13 20.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -87.83 -42.55 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.699 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.4 p 39.52 48.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -33.44 -39.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 131' ' ' VAL . 53.8 t -146.69 138.49 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -122.61 99.52 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 49.9 t -114.81 150.36 35.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 137' ' ' VAL . 65.0 mtt180 -130.15 119.36 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 136' ' ' ARG . 90.9 t -35.11 -51.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -39.52 -48.74 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.94 -35.67 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 141' ' ' SER . 3.8 tt -43.9 138.38 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 140' ' ' LEU . 86.1 p -113.07 -40.13 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 143' ' ' MET . 0.0 OUTLIER -160.44 166.72 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.682 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 9.7 ptt? -165.5 154.53 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.02 175.62 45.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.96 157.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -89.3 -157.94 33.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -50.29 -53.47 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.71 117.08 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.56 ' HB ' HD13 ' A' ' 18' ' ' LEU . 28.1 m -49.25 -26.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -51.98 -27.95 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 50.1 p -99.51 133.85 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -131.37 121.26 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.576 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -130.94 154.86 47.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -141.41 147.82 38.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' A' ' 142' ' ' PHE . 69.3 mt -97.64 115.61 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 14.6 ptm -115.42 162.38 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.06 116.34 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 46.2 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.883 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.434 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.2 mpt_? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.13 118.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.434 ' OE2' ' C ' ' A' ' 81' ' ' LEU . 14.3 tp10 -107.3 153.99 21.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.0 t -124.11 125.86 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 86.6 m-70 -120.05 127.11 52.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.604 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.2 t -97.0 156.77 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -155.68 132.25 10.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -85.55 139.29 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 85.8 m -125.65 153.9 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 77.2 mt-10 -144.25 130.81 10.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.74 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.297 0.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -120.41 177.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.539 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -95.15 26.58 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -73.71 -58.14 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.22 -22.14 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.4 t -86.64 -55.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . 0.54 ' HB3' ' HE1' ' A' ' 21' ' ' MET . 7.1 m -54.27 -47.27 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.93 -33.49 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -67.91 -49.79 59.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.38 -33.17 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.414 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 37.0 mt-30 -60.71 -52.59 64.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.64 38.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -44.0 -41.62 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.5 mt -68.45 -45.31 72.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -45.48 -42.71 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -54.09 -54.4 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.4 mmt -46.58 -26.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -92.51 -29.63 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.41 -74.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.41 -36.01 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.84 166.61 25.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE2' ' CG ' ' A' ' 182' ' ' GLN . 29.5 t80 -104.43 92.83 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.637 ' OE2' HG11 ' A' ' 87' ' ' VAL . 3.2 mm-40 -77.3 169.34 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.627 HG21 ' OD1' ' A' ' 114' ' ' ASN . 1.8 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.787 0.327 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 15.9 mt-30 -96.87 129.18 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.24 119.38 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 71' ' ' GLN . 36.0 m-85 -125.02 120.66 32.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.589 ' O ' HG13 ' A' ' 75' ' ' VAL . 4.1 tpp85 -66.86 139.68 57.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 74' ' ' ARG . 18.9 m -161.8 -176.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 37.6 mt-30 -126.27 139.31 53.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -100.69 102.91 14.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.4 mp -65.76 -34.55 78.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.18 173.95 13.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.515 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 7.0 tmm? -86.48 138.22 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.501 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -138.85 114.72 8.62 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.501 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.71 145.52 57.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -127.33 161.67 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.86 -30.53 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -114.99 144.42 32.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.421 ' O ' HG21 ' A' ' 155' ' ' ILE . 53.5 Cg_endo -69.8 -21.17 33.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.825 HG12 ' HB3' ' A' ' 142' ' ' PHE . 35.0 m -141.76 -178.21 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.47 139.52 7.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.77 -42.96 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.53 -24.62 65.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -88.55 -45.89 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 153' ' ' ALA . 8.9 tt -59.1 -54.42 47.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.505 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.9 m-80 -54.44 -49.99 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 t -40.9 -49.79 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.96 -57.89 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' A' ' 167' ' ' VAL . 81.0 mt -37.84 -51.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -61.86 -47.7 83.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.57 ' O ' HG22 ' A' ' 101' ' ' THR . 7.5 t-20 -44.31 -53.39 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.2 mt -73.54 -49.37 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.0 mtt -40.89 -40.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 98' ' ' ASN . 15.4 t -82.03 -28.83 32.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 99' ' ' LEU . 53.3 m -56.3 -53.62 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 p -129.22 -179.19 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 11.2 m -90.48 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 43.1 tttm -54.11 -47.88 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.0 -30.61 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -57.11 -26.61 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 7.6 m0 -69.77 128.92 91.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 122.0 8.67 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.56 112.04 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.3 m -112.45 166.69 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -110.94 140.46 45.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 45.5 ttm -95.68 99.19 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.627 ' OD1' HG21 ' A' ' 70' ' ' VAL . 31.3 t30 -86.39 96.31 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.4 t -94.87 103.94 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.455 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -143.52 150.25 38.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.7 t70 40.78 49.46 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 47.87 40.75 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.6 m -133.44 117.07 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 135' ' ' CYS . 78.7 t -84.66 112.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.1 m -121.52 131.85 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.92 94.81 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.9 mm -92.44 134.0 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -55.65 165.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -71.37 -49.15 45.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -82.93 -68.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.3 156.91 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -32.19 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.54 15.34 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 131' ' ' VAL . 7.1 tp10 -73.36 -36.81 66.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.699 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.3 p 35.63 50.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 82.2 mt -34.67 -47.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.4 t -136.42 144.72 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -128.01 98.49 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 120' ' ' VAL . 7.7 t -116.56 140.43 49.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -114.48 128.58 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.0 -35.56 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -58.03 -38.11 75.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -88.54 -10.71 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.88 113.98 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.9 p -77.76 -57.28 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.825 ' HB3' HG12 ' A' ' 87' ' ' VAL . 4.0 t80 -152.8 149.61 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.45 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.1 ptt? -137.98 151.16 47.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.8 -169.11 29.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.537 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.83 144.5 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -68.29 -173.47 7.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -28.72 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -115.5 122.54 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 150' ' ' HIS . 32.9 m -44.23 -40.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.525 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 71.0 m80 -44.05 -41.65 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 54.5 p -82.25 128.91 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -134.71 113.9 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' A' ' 167' ' ' VAL . . . -126.29 166.14 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -151.13 148.27 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.421 HG21 ' O ' ' A' ' 86' ' ' PRO . 76.6 mt -98.47 126.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -128.72 167.79 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.98 141.82 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 33.5 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.811 0.339 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.441 ' C ' ' OE1' ' A' ' 164' ' ' GLU . 2.7 m-85 -134.4 127.7 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 164' ' ' GLU . 1.6 mp0 -114.09 151.05 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 53.3 t -113.45 123.67 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.515 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 96.6 m-70 -118.68 114.46 22.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.52 HG21 ' HA ' ' A' ' 96' ' ' ILE . 21.4 t -91.39 147.75 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -148.48 127.43 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.525 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 31.5 t-105 -86.16 132.71 33.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.462 ' SG ' HG21 ' A' ' 177' ' ' VAL . 54.7 m -107.38 156.28 19.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 26.5 mt-10 -143.37 126.98 9.2 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.74 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.69 -50.69 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.745 -1.773 . . . . 0.0 112.338 -0.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -118.85 173.35 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -96.0 33.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.33 -51.54 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -72.16 -39.66 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.462 HG21 ' SG ' ' A' ' 170' ' ' CYS . 75.7 t -65.47 -61.64 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.6 t -55.91 -28.33 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.36 -50.65 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.27 -53.45 28.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.39 -37.73 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.485 ' CG ' ' CE2' ' A' ' 26' ' ' TYR . 33.9 tt0 -61.74 -58.92 6.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.11 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -51.57 -42.3 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.837 0.351 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 HG11 ' A' ' 149' ' ' VAL . 21.1 mt -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.1 p -40.97 -42.48 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.82 -50.61 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.7 mmt -48.03 -33.84 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -78.54 -26.21 45.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -64.25 -62.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -126.65 -39.85 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.0 -174.35 21.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 182' ' ' GLN . 3.1 t80 -119.65 102.47 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -87.29 169.77 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.876 HG23 ' HB2' ' A' ' 116' ' ' ALA . 7.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.768 0.318 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -109.16 123.2 48.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.93 118.72 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -112.29 157.15 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -101.11 116.14 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.19 165.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -105.74 155.14 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -106.54 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.5 mp -66.67 -50.59 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 155.2 -178.53 31.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.409 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 23.8 ttp -100.76 141.68 33.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -145.27 122.87 6.32 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.8 136.38 32.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.312 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -108.57 156.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.45 -25.7 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -124.4 149.19 60.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.95 28.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -140.35 176.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.99 136.75 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.598 ' CE ' HD22 ' A' ' 92' ' ' LEU . 3.8 mmt -68.41 -58.27 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -41.84 -40.78 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -68.51 -33.21 73.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.598 HD22 ' CE ' ' A' ' 89' ' ' MET . 4.7 tp -68.62 -57.77 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -53.88 -49.65 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -39.99 -53.64 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -61.0 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.404 ' HA ' HG21 ' A' ' 167' ' ' VAL . 61.1 mt -53.76 -57.59 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.05 -32.83 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.2 -52.67 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.86 -38.97 69.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.1 mmt -46.92 -51.13 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.2 t -77.32 -20.16 55.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.9 t -66.75 -52.72 41.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.8 m -125.88 165.83 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 4.9 m -85.19 169.25 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.48 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.0 tttm -64.07 -35.92 82.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.59 -37.03 65.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.72 -36.5 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 9.4 m0 -57.18 115.57 10.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.559 0.695 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.35 30.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.9 p -64.33 119.29 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.9 m -127.71 177.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -132.26 145.01 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 29.0 tpp -96.81 102.48 14.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -87.59 96.98 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 65.3 t -101.4 100.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.876 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -141.69 140.99 33.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t0 47.65 45.86 17.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.08 41.05 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -129.31 123.95 33.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -100.92 96.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 m -114.59 117.23 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.616 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 56.1 t -85.68 96.4 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.8 mm -90.23 139.17 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.6 t -69.69 147.34 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.35 -37.51 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -71.3 -47.69 55.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -118.36 138.72 52.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.83 -37.91 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.85 19.68 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' VAL . 5.4 tp10 -81.8 -30.45 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.581 ' O ' HG22 ' A' ' 131' ' ' VAL . 11.8 p 33.35 50.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -35.92 -53.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.46 133.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -119.11 103.6 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.3 t -116.39 149.25 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 21.6 mtm180 -127.63 116.11 19.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 136' ' ' ARG . 43.3 t -36.31 -41.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -45.72 -47.91 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -80.1 -34.73 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.6 tt -40.55 130.08 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.0 p -98.16 -56.5 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 143' ' ' MET . 11.4 t80 -148.95 155.39 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.43 ' HE1' ' HA ' ' A' ' 182' ' ' GLN . 17.0 ptt? -151.75 146.0 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -162.23 -167.49 22.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 11.6 m -119.18 160.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.61 -171.15 43.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 148' ' ' ASP . 39.2 pttt -38.77 -46.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 147' ' ' LYS . 6.1 m-20 -104.09 127.72 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 150' ' ' HIS . 30.3 m -46.56 -46.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.503 ' N ' HG23 ' A' ' 149' ' ' VAL . 51.4 m80 -38.37 -45.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 52.1 p -77.09 135.73 38.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -139.48 122.66 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -134.83 153.95 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -140.9 148.19 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 70.2 mt -100.24 136.41 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.4 ptm -140.05 153.25 46.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.14 133.51 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 66.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.97 158.29 44.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -117.58 149.27 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.45 106.4 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.409 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.1 m-70 -91.9 113.0 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.404 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.3 t -90.5 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.616 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 89.1 m-85 -152.5 140.02 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -93.02 139.38 30.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.58 ' SG ' HG21 ' A' ' 177' ' ' VAL . 77.5 m -122.0 149.05 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 2.3 mp0 -137.74 132.62 17.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.661 0.743 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.72 -50.45 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.358 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -123.69 166.73 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.29 39.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -78.62 -50.19 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -74.17 -35.73 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.58 HG21 ' SG ' ' A' ' 170' ' ' CYS . 53.8 t -63.36 -59.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.3 m -59.83 -18.64 45.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -44.78 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.04 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 177' ' ' VAL . 7.1 p -60.69 -48.58 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 1.4 pt20 -66.71 -21.33 66.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.85 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -80.4 -37.02 32.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 t60 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' MET . 40.0 mt -61.28 -56.66 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 83.1 p -37.12 -41.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -55.39 -46.64 76.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' LEU . 13.1 mmt -52.61 -22.49 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.02 -40.22 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -53.74 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -113.17 -46.24 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.82 -159.52 13.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 25.6 t80 -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -93.79 162.9 13.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.914 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.629 HG23 ' HB2' ' A' ' 116' ' ' ALA . 8.5 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.774 0.321 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.461 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 16.2 mt-30 -105.21 122.25 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.07 110.91 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 94.3 m-85 -105.49 154.89 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 119.74 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -149.75 176.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -115.49 153.75 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -107.08 100.08 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.9 mp -62.82 -44.83 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.96 171.85 17.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 8.6 ttp -89.23 119.24 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' C ' ' OE2' ' A' ' 164' ' ' GLU . 0.7 OUTLIER -123.99 118.35 26.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.46 56.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.53 166.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.46 -33.06 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -122.0 149.51 54.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -23.21 31.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.604 HG12 ' CB ' ' A' ' 142' ' ' PHE . 21.4 m -136.81 167.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.03 130.59 3.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.69 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -47.74 -47.32 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.9 m -62.15 -41.31 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -65.57 -44.03 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' SER . 1.9 m-80 -63.89 -53.7 46.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' ASN . 8.1 t -35.75 -47.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -56.13 -49.97 72.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.437 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 64.8 mt -47.21 -55.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 101' ' ' THR . 26.2 mt-10 -59.81 -37.9 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.23 -54.74 41.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.96 -38.1 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.2 mtt -52.85 -48.04 67.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 102' ' ' SER . 12.4 t -77.79 -45.43 24.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.515 ' N ' HG23 ' A' ' 101' ' ' THR . 5.2 t -47.12 -46.72 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 99.8 p -121.83 -176.28 3.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.412 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 3.2 p -107.03 158.35 17.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 37.4 tttm -58.7 -18.48 31.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -90.34 -38.42 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.69 -33.69 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 2.4 m0 -62.2 114.63 12.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.525 0.679 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.3 50.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -71.24 107.23 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.0 m -114.11 177.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -131.86 141.58 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.564 ' HG2' HG23 ' A' ' 115' ' ' VAL . 27.7 ttm -93.47 103.8 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -89.76 97.1 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.564 HG23 ' HG2' ' A' ' 113' ' ' MET . 98.5 t -101.63 106.69 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.6 130.27 15.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.3 t0 59.1 43.45 17.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.604 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.05 41.79 26.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 35.0 m -131.07 116.62 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' CYS . 73.0 t -91.04 97.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.702 ' CG2' HG23 ' A' ' 131' ' ' VAL . 27.0 m -116.4 115.85 26.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.59 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 94.2 t -82.61 104.57 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 131' ' ' VAL . 14.9 mm -98.33 140.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -65.42 153.96 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.41 -46.16 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -76.42 -44.65 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.55 135.84 46.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -93.64 -32.63 14.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -94.54 40.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 131' ' ' VAL . 11.6 tp10 -101.61 -30.98 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.702 HG23 ' CG2' ' A' ' 121' ' ' THR . 15.0 p 32.15 49.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' VAL . 78.3 mt -35.82 -47.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 79.3 t -132.81 137.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.92 101.98 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 120' ' ' VAL . 11.5 t -125.17 145.25 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.36 123.15 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 85.1 t -38.77 -40.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -45.7 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 140' ' ' LEU . 22.4 m-85 -78.98 -37.0 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' 140' ' ' LEU . 7.4 tt -36.41 109.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 76.2 p -77.26 -57.91 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.604 ' CB ' HG12 ' A' ' 87' ' ' VAL . 23.3 t80 -148.41 143.79 27.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -139.78 148.58 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -165.24 -156.25 9.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.43 161.93 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.437 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -91.12 -170.15 42.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -46.56 -39.88 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 149' ' ' VAL . 8.3 t0 -108.96 114.91 29.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 150' ' ' HIS . 32.6 m -36.92 -39.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 74.2 m80 -44.7 -47.83 10.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.0 p -77.33 121.53 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -123.7 116.77 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.459 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -123.56 171.58 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 14.1 p90 -162.51 140.3 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 84.5 mt -95.07 130.25 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -124.87 168.37 13.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -119.58 125.17 48.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.5 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.883 0.373 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -134.47 124.45 25.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.451 ' CG ' ' HG2' ' A' ' 80' ' ' MET . 21.0 tp10 -111.21 151.64 28.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.9 t -114.29 126.37 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.578 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 92.5 m-70 -114.99 118.15 32.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 96' ' ' ILE . 28.0 t -94.09 140.36 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.59 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 96.0 m-85 -141.31 128.58 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -81.95 138.62 34.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 65.2 m -124.53 149.52 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.7 mm-40 -144.08 134.85 12.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.2 Cg_endo -69.73 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.39 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.04 170.74 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.7 30.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -79.28 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.46 -21.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.15 -50.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 13.2 m -57.32 -37.93 73.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -39.57 67.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . . . -55.29 -50.99 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.57 -36.01 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 31.7 tt0 -53.51 -49.5 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.52 -46.68 38.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -57.18 -43.65 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.539 HD13 ' HB ' ' A' ' 149' ' ' VAL . 26.7 mt -72.62 -49.82 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LEU . 41.9 m -34.22 -49.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -49.3 76.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.7 mmt -46.35 -39.75 10.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.556 ' HG2' HG23 ' A' ' 145' ' ' VAL . 96.5 mt-30 -69.98 -38.43 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -58.94 -69.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -111.76 -47.92 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -152.01 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 59.4 t80 -138.0 118.41 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -97.16 130.84 44.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.749 0.309 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -115.91 121.35 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -102.52 117.38 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.52 146.49 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -88.02 117.36 26.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 170' ' ' CYS . 31.4 m -151.6 174.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -111.43 162.91 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -123.99 103.26 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.565 HD13 HG12 ' A' ' 167' ' ' VAL . 7.3 mp -67.04 -50.66 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 151.51 176.79 24.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 17.8 ttp -83.8 126.47 32.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -132.14 113.2 14.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.75 54.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.472 ' HB ' ' CG2' ' A' ' 91' ' ' THR . 14.3 m -115.33 163.01 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.75 -38.38 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.39 150.32 51.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -27.39 26.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 142' ' ' PHE . 34.7 m -130.03 172.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.08 142.68 9.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 88.1 mmm -77.37 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -38.12 -46.39 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 83' ' ' VAL . 94.4 m -66.64 -45.26 79.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.22 -56.43 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.512 ' HA ' HD12 ' A' ' 96' ' ' ILE . 52.0 m-20 -53.66 -44.41 69.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.6 t -47.52 -48.87 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.69 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.619 ' HA ' HG21 ' A' ' 167' ' ' VAL . 82.0 mt -44.22 -53.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 101' ' ' THR . 10.6 mm-40 -60.76 -47.35 86.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -44.83 -43.34 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 81' ' ' LEU . 25.9 mt -82.42 -48.73 10.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 mtt -43.63 -41.62 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 97' ' ' GLU . 10.1 t -80.14 -29.26 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -68.16 -50.55 53.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 p -118.59 166.06 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.447 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 41.7 m -90.95 162.58 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -56.53 -37.39 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.47 -45.5 30.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.3 -41.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.4 m0 -55.39 114.91 8.04 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.623 ' O ' HG13 ' A' ' 111' ' ' VAL . 54.0 Cg_endo -69.7 116.38 4.53 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 m -48.43 109.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 109' ' ' PRO . 31.1 m -111.86 170.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 125' ' ' GLU . 97.2 m-20 -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.6 tpp -85.41 104.71 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.55 97.75 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 76.8 t -101.84 121.68 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.81 144.44 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.0 t70 43.22 43.87 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.597 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 58.34 40.47 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.5 m -132.66 113.89 13.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -89.61 106.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.641 ' CG2' HG23 ' A' ' 131' ' ' VAL . 18.4 m -120.2 121.0 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 96.8 t -84.28 100.38 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 131' ' ' VAL . 32.8 mm -98.44 136.66 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.3 t -51.54 154.49 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.454 ' HA ' ' ND2' ' A' ' 112' ' ' ASN . 9.1 tt0 -51.96 -48.64 64.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 12.0 tptm -100.92 -68.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 86.4 m-20 -49.55 118.15 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -87.52 -32.7 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.13 41.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 131' ' ' VAL . 6.5 tp10 -104.45 -29.63 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.641 HG23 ' CG2' ' A' ' 121' ' ' THR . 8.3 p 28.81 46.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.9 mt -34.04 -47.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.9 t -138.22 134.99 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -119.09 107.15 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.4 t -122.03 143.87 49.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 57.4 mtp85 -121.02 122.11 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 136' ' ' ARG . 87.6 t -36.21 -51.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -44.65 -45.75 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.05 -38.63 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 141' ' ' SER . 6.0 tt -46.96 134.98 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.475 ' N ' HD23 ' A' ' 140' ' ' LEU . 58.1 p -106.01 -45.23 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.615 ' HB2' HG12 ' A' ' 87' ' ' VAL . 81.3 t80 -155.91 160.75 40.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.433 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 8.9 ptt? -160.9 151.32 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -163.07 -172.53 30.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.556 HG23 ' HG2' ' A' ' 22' ' ' GLN . 22.5 m -115.95 152.4 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.418 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -78.44 -175.8 46.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -26.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.88 119.16 31.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.539 ' HB ' HD13 ' A' ' 18' ' ' LEU . 29.2 m -37.89 -41.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.451 ' N ' HG23 ' A' ' 149' ' ' VAL . 71.9 m80 -43.18 -46.68 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.414 ' CG2' ' CZ3' ' A' ' 169' ' ' TRP . 52.2 p -80.16 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.52 112.85 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -119.38 157.43 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 7.3 p90 -145.84 143.98 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.499 HD12 ' HD2' ' A' ' 142' ' ' PHE . 54.6 mt -97.22 133.28 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 11.3 ptm -136.89 166.72 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -108.32 128.17 54.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.412 ' HA ' ' NE ' ' A' ' 162' ' ' ARG . 12.5 mmp_? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -126.03 115.97 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -109.22 156.64 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.32 117.26 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.577 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 94.0 m-70 -100.46 120.81 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.619 HG21 ' HA ' ' A' ' 96' ' ' ILE . 72.0 t -92.66 147.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 82.9 m-85 -150.05 134.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.414 ' CZ3' ' CG2' ' A' ' 151' ' ' THR . 44.7 t-105 -89.9 124.86 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . 0.472 ' HA ' HG12 ' A' ' 75' ' ' VAL . 97.2 m -109.18 155.07 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 37.9 mt-10 -148.21 136.7 11.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.77 -47.6 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.83 157.0 36.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.36 42.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.57 -55.66 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.75 -39.06 92.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 181' ' ' VAL . 69.8 t -67.52 -52.97 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 57.5 p -60.33 -32.75 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.16 -49.19 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.9 -57.32 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 177' ' ' VAL . 8.5 p -55.17 -39.96 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 17.0 tt0 -56.92 -57.96 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -39.01 -48.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -43.47 -42.85 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.8 t60 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 175' ' ' ALA . 18.4 mt -69.8 -53.81 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -37.85 -45.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -60.92 -44.83 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' LEU . 20.2 mtt -55.37 -36.47 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.34 -49.36 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.58 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -129.03 -32.42 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.08 -163.43 12.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 50.2 t80 -129.24 95.15 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.89 152.6 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.412 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 11.0 t-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 116' ' ' ALA . 2.5 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -96.78 117.97 32.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -109.71 117.97 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.74 151.56 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 74' ' ' ARG . 0.7 OUTLIER -97.39 123.82 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -152.58 179.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -118.53 155.59 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -109.21 111.4 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.595 ' HA3' HD22 ' A' ' 99' ' ' LEU . . . 168.34 176.45 38.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.621 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 2.8 tpt -98.29 104.16 16.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.612 HD21 ' ND2' ' A' ' 98' ' ' ASN . 0.5 OUTLIER -113.78 115.12 46.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.645 0.735 . . . . 0.0 110.936 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 144.04 53.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 91' ' ' THR . 0.3 OUTLIER -108.47 175.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -102.59 -28.39 12.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' H ' HG21 ' A' ' 91' ' ' THR . 81.7 mtt180 -124.26 150.19 63.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.38 29.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.728 HG12 ' HB2' ' A' ' 142' ' ' PHE . 15.1 m -138.07 170.58 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.31 143.8 10.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.491 ' HE3' ' HA3' ' A' ' 144' ' ' GLY . 4.3 mmt -80.14 -57.44 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -38.94 -36.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.46 HG21 ' H ' ' A' ' 85' ' ' ARG . 86.1 m -80.11 -48.93 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -58.14 -54.85 42.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' SER . 2.6 m-80 -49.41 -52.83 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 33.3 t -36.33 -46.12 0.51 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -59.63 -53.28 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.566 ' HA ' HG21 ' A' ' 167' ' ' VAL . 97.4 mt -45.08 -58.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.77 -46.62 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.665 ' O ' HG22 ' A' ' 101' ' ' THR . 8.2 t-20 -44.7 -68.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.595 HD22 ' HA3' ' A' ' 79' ' ' GLY . 12.3 mt -59.31 -40.83 87.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -49.52 -40.98 39.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 98' ' ' ASN . 13.6 t -86.94 -17.35 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 t -76.2 -44.26 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.1 m -126.09 -176.36 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.9 m -108.7 165.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 33.8 tttm -57.19 -43.76 83.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.25 -40.12 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -48.0 -38.0 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.43 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 6.5 m0 -59.55 119.72 42.53 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.54 0.686 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -63.78 118.12 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.64 173.63 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -129.7 137.71 50.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.409 ' HG2' HG23 ' A' ' 115' ' ' VAL . 40.7 ttm -88.27 101.01 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.402 ' OD1' HG21 ' A' ' 70' ' ' VAL . 27.9 t30 -82.73 95.92 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.409 HG23 ' HG2' ' A' ' 113' ' ' MET . 93.5 t -98.65 100.42 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.562 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -144.86 125.54 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 62.4 49.5 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.554 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 50.93 37.68 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -127.62 114.85 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -93.45 102.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.559 ' CG2' HG23 ' A' ' 131' ' ' VAL . 62.8 m -117.95 126.09 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.515 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 91.1 t -88.53 98.13 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 131' ' ' VAL . 15.4 mm -94.65 131.9 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -60.25 133.75 56.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.99 -46.08 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -69.26 -70.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -86.28 136.6 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.43 -28.19 17.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.81 40.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.4 tp10 -105.33 -30.92 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.559 HG23 ' CG2' ' A' ' 121' ' ' THR . 14.8 p 32.55 48.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 47.4 mt -33.23 -46.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 71.3 t -141.45 134.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -118.48 101.14 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.7 t -115.54 147.75 40.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -124.05 127.81 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 140' ' ' LEU . 89.5 t -43.75 -51.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -44.16 -43.13 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.27 -22.14 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 137' ' ' VAL . 1.7 tt -55.09 126.18 23.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 56.3 p -99.48 -37.88 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.728 ' HB2' HG12 ' A' ' 87' ' ' VAL . 44.1 t80 -161.76 156.51 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 1.5 ptt? -155.43 147.52 23.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . 0.491 ' HA3' ' HE3' ' A' ' 89' ' ' MET . . . -165.43 -172.66 33.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.0 m -118.67 160.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -92.51 -174.38 41.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 146' ' ' GLY . 52.7 mttm -35.35 -46.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -105.5 127.14 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 m -53.05 -20.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 69.1 m80 -58.81 -36.77 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.566 HG22 ' CE3' ' A' ' 169' ' ' TRP . 72.3 p -91.78 129.83 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -129.57 113.96 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -119.9 146.55 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -132.73 138.59 47.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.467 HD12 ' HD2' ' A' ' 142' ' ' PHE . 87.5 mt -95.86 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.3 ptm -116.54 157.26 25.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -105.22 113.15 26.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.888 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -133.64 118.39 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.433 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 15.5 mm-40 -116.79 143.21 45.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.529 ' N ' ' HE1' ' A' ' 80' ' ' MET . 2.4 t -122.82 115.92 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.621 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 78.6 m-70 -106.47 114.32 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 96' ' ' ILE . 23.5 t -87.5 152.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 83.6 m-85 -154.01 133.47 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.566 ' CE3' HG22 ' A' ' 151' ' ' THR . 44.0 t-105 -85.83 142.65 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.26 153.09 46.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.51 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 25.2 mt-10 -139.73 132.07 15.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.4 Cg_endo -69.72 -48.29 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.361 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.08 167.09 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -90.13 45.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.659 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -86.82 -49.04 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.58 -38.5 77.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.24 -56.19 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.7 p -58.3 -26.42 63.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.58 -45.58 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.5 -54.67 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.9 p -60.52 -24.99 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.553 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 32.5 tt0 -75.67 -42.78 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.14 83.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -52.56 -38.93 60.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.9 t60 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.551 HD13 ' HB ' ' A' ' 149' ' ' VAL . 13.3 mt -77.82 -37.33 48.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m -49.75 -44.39 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -44.07 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -50.43 -19.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.429 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 79.6 mt-30 -89.77 -40.66 12.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -44.55 -71.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -117.83 -36.89 3.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -165.0 13.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 182' ' ' GLN . 6.0 t80 -119.38 103.54 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -86.59 156.74 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.865 -179.891 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 116' ' ' ALA . 5.5 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.796 0.331 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.619 ' NE2' ' HB1' ' A' ' 180' ' ' ALA . 19.3 mt-30 -103.37 126.21 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -120.26 111.12 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -110.18 157.34 19.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -97.92 128.58 44.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.02 -176.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -121.57 159.56 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -114.66 108.76 17.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.6 mp -73.68 -43.45 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.91 -175.5 29.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.477 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 7.7 tmm? -109.43 113.57 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.457 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -105.5 116.72 59.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.61 19.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.43 161.55 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -101.23 -23.78 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -104.48 130.18 23.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.31 37.59 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 142' ' ' PHE . 25.0 m -146.14 -175.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.28 143.82 10.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.1 mmt -86.03 -9.54 56.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.69 -45.3 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.2 m -69.58 -30.65 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -78.14 -47.41 18.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -65.95 -30.06 70.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -66.83 -33.23 75.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.83 -51.39 41.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.1 mt -42.66 -66.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.8 -36.21 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.412 ' O ' HG22 ' A' ' 101' ' ' THR . 15.6 t-20 -55.46 -47.23 76.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.1 mt -79.38 -37.31 37.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -47.53 -36.51 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 98' ' ' ASN . 1.5 t -86.83 -19.87 28.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -72.31 -43.16 64.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 m -133.97 155.52 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 9.8 m -86.66 164.18 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 108' ' ' TRP . 40.3 tttm -54.84 -33.58 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.46 -37.41 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.68 -36.62 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.47 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.8 m0 -62.24 113.85 9.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.705 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.74 127.82 15.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -61.48 110.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -112.93 171.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -121.33 135.06 55.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.4 ttm -89.91 105.34 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -90.69 97.31 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.3 t -101.54 105.36 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.748 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -145.94 143.25 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 t70 48.75 39.32 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.4 45.1 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.1 m -136.84 115.71 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.94 98.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.4 m -117.59 113.64 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.468 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 24.6 t -81.87 105.06 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.25 143.35 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -74.3 143.31 45.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.69 -56.84 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -51.02 -70.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -99.66 148.52 24.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -95.63 -15.98 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -103.61 42.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -108.29 -31.66 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.701 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.4 p 38.15 49.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -34.66 -39.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.1 t -146.34 130.18 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -120.07 102.84 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.7 t -122.71 147.63 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -118.91 133.86 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.448 HG11 ' HA ' ' A' ' 185' ' ' CYS . 84.8 t -53.54 -35.91 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -59.14 -36.1 74.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.15 -23.77 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.38 131.64 42.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.0 t -96.37 -69.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.697 ' CB ' HG12 ' A' ' 87' ' ' VAL . 60.2 t80 -137.74 148.1 45.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -148.52 158.06 43.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.85 -168.76 34.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.429 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -116.72 151.77 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -82.68 -170.18 45.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -44.74 -38.8 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -106.22 127.31 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.614 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 20.1 m -52.37 -17.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 47.1 m80 -70.12 -31.61 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 43.5 p -87.23 123.88 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 181' ' ' VAL . 8.7 t80 -128.02 119.16 24.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -126.32 164.93 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.7 p90 -158.95 140.27 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 59.3 mt -95.48 140.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 9.7 ptm -133.61 166.21 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -111.69 116.79 31.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.904 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -138.31 122.33 17.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -107.84 141.92 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 8.1 t -110.24 107.88 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.477 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 83.6 m-70 -99.04 130.72 45.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 168' ' ' PHE . 23.8 t -108.01 154.73 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.468 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 92.2 m-85 -154.18 139.16 17.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -96.2 126.36 41.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 3.8 m -114.35 147.6 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.555 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 19.0 mt-10 -139.97 140.66 24.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.71 -45.96 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.366 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.23 155.52 33.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 149' ' ' VAL . . . -83.38 35.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.0 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.05 -20.93 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 181' ' ' VAL . 73.8 t -92.3 -49.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 22.9 t -67.38 -23.39 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -83.08 -40.85 19.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . 0.619 ' HB1' ' NE2' ' A' ' 71' ' ' GLN . . . -69.7 -45.8 67.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 152' ' ' PHE . 12.2 p -60.96 -43.85 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 8.0 pt20 -74.07 -14.2 60.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -78.88 -29.52 44.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -70.36 -39.05 74.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . 0.448 ' HA ' HG11 ' A' ' 137' ' ' VAL . 58.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.532 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.842 0.353 . . . . 0.0 110.856 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 149' ' ' VAL . 20.0 mt -68.76 -33.17 73.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -50.92 -59.02 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -48.68 -31.93 7.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 mmt -75.23 -33.73 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.451 ' HG2' ' CG2' ' A' ' 145' ' ' VAL . 9.0 mt-30 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -52.59 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.11 -28.0 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.4 -143.47 16.48 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 51.1 t80 -150.06 106.88 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.87 157.3 28.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.878 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.942 HG23 ' HB2' ' A' ' 116' ' ' ALA . 13.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.737 0.304 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -109.64 131.46 55.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.17 113.27 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -107.58 154.14 21.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 75' ' ' VAL . 1.4 tmm_? -98.78 127.49 44.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 74' ' ' ARG . 35.7 m -160.52 168.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -106.8 161.78 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -114.54 109.78 18.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mp -69.84 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' HD13 ' A' ' 99' ' ' LEU . . . 170.02 177.45 40.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.626 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 3.5 tpt -97.26 102.89 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -111.21 113.83 53.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.949 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 149.06 66.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.19 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -102.03 -25.06 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -117.88 141.57 29.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.18 29.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.74 HG12 ' HB2' ' A' ' 142' ' ' PHE . 17.2 m -137.49 175.61 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.91 153.12 12.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.18 -34.8 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.68 -29.01 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.2 m -85.58 -47.07 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 153' ' ' ALA . 9.1 tt -61.63 -46.5 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -61.09 -33.41 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -65.44 -41.36 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -63.12 -35.11 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.459 ' HA ' HG21 ' A' ' 167' ' ' VAL . 21.7 mt -59.53 -59.34 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -56.88 -40.78 76.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -50.49 -47.13 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 102' ' ' SER . 98.8 mt -79.13 -47.28 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.7 mmt -40.64 -41.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -84.83 -27.15 26.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.3 t -59.2 -47.31 85.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.5 p -133.14 161.17 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -78.08 159.27 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.516 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.1 tttt -52.93 -33.61 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -77.54 -42.25 36.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -44.71 -33.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.516 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 6.2 m0 -61.49 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.599 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.5 Cg_endo -69.67 120.59 7.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -53.48 119.08 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 109' ' ' PRO . 21.8 m -120.2 -175.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -136.4 136.59 39.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.0 ttm -92.32 100.21 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -87.26 96.64 10.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.9 t -96.91 100.45 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.942 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -140.53 133.97 29.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 t70 52.79 45.58 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.495 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 54.07 44.08 29.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.7 m -132.78 114.46 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.7 t -89.59 106.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.9 m -121.57 125.68 47.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 77.5 t -88.0 102.14 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.4 mm -96.75 136.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -67.77 146.64 53.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.31 -42.88 78.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -68.65 -54.06 18.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -106.36 138.02 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -91.44 -23.43 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.54 40.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -100.05 -33.67 10.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.71 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.1 p 39.08 46.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 131' ' ' VAL . 38.8 mt -34.04 -51.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.38 139.03 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -124.81 103.33 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 8.4 t -117.6 151.06 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -124.01 127.13 47.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 79.1 t -43.29 -41.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.56 -41.17 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -79.92 -18.14 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.16 124.26 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.8 t -97.04 -46.11 6.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.74 ' HB2' HG12 ' A' ' 87' ' ' VAL . 20.1 t80 -157.58 158.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' MET . . . . . 0.454 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.8 OUTLIER -156.86 157.37 34.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.66 -177.98 44.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 22' ' ' GLN . 8.2 m -108.31 166.51 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -103.89 -162.8 24.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 146' ' ' GLY . 25.1 mmtp -37.35 -59.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -98.84 122.98 42.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' VAL . . . . . 0.489 ' HB ' HD13 ' A' ' 18' ' ' LEU . 35.1 m -43.91 -29.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' HIS . . . . . 0.481 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 59.3 m80 -50.96 -41.37 59.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 73.1 p -77.2 132.76 38.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -133.09 113.92 13.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ALA . . . . . 0.669 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -123.53 147.86 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 7.2 p90 -135.69 146.12 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.25 114.22 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -110.4 166.65 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -116.57 138.09 51.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.4 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -129.8 121.65 27.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLU . . . . . 0.499 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 5.8 mm-40 -115.95 142.93 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' CYS . . . . . 0.545 ' N ' ' HE1' ' A' ' 80' ' ' MET . 10.7 t -122.68 123.35 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.626 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 88.6 m-70 -115.45 113.92 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.0 t -89.55 138.54 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 61.6 m-85 -138.74 144.82 39.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -96.07 133.71 39.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 82.6 m -115.91 163.41 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 20.5 mt-10 -153.5 133.63 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.72 -47.72 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.363 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -121.16 169.9 10.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.51 29.67 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -80.86 -37.65 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.2 -41.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 28.9 p -66.1 -30.12 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.53 -31.89 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -74.66 -34.36 62.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.02 -34.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.424 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 36.1 tt0 -66.56 -37.19 84.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -54.28 -51.42 64.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.495 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -46.02 -48.37 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -95.12 109.27 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -102.3 142.25 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.35 130.15 1.15 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -101.66 151.97 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 m -67.14 -52.42 41.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.22 -171.57 22.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -171.7 146.02 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.26 -61.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.4 155.58 40.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.1 p -99.45 140.09 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -82.15 152.36 67.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.539 0.685 . . . . 0.0 111.153 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -14.46 35.93 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' OE1' ' HB3' ' A' ' 175' ' ' ALA . 18.9 mm-40 -85.61 -37.77 19.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HA ' HD12 ' A' ' 18' ' ' LEU . 23.8 mm-40 -68.26 -51.43 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -43.46 -50.51 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -61.65 -32.41 72.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.547 HD13 HG11 ' A' ' 149' ' ' VAL . 13.6 mt -74.21 -35.61 63.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.5 m -52.6 -46.41 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -52.89 -47.88 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -61.77 -23.8 66.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -83.61 -29.75 27.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.01 -74.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.43 -45.48 2.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.3 -156.08 16.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -130.67 118.35 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.924 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -102.17 132.8 47.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -80.87 127.1 75.98 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -50.8 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 33' ' ' PHE . 7.5 m -38.91 -61.29 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' THR . 12.0 t80 -34.49 -48.42 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -46.65 89.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 30' ' ' THR . 69.0 m-85 -58.08 -48.41 80.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -49.27 -32.28 10.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -74.27 -70.87 0.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -93.61 93.05 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.3 ttt -96.68 114.78 26.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -51.23 132.83 28.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -150.51 167.96 25.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.4 p -70.32 140.6 52.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.41 74.88 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.471 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.37 4.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.9 t -40.94 -36.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 m -68.09 123.44 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 156.01 -161.67 30.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.9 mt -105.71 44.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -130.62 111.65 12.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.85 41.79 1.24 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.8 ptt-85 -166.91 157.03 11.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.56 143.39 7.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 82.4 p -128.22 122.22 31.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -147.25 165.61 29.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.54 125.49 0.88 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 t -135.21 178.41 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.0 t -164.48 157.49 17.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.829 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.22 179.19 47.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.7 p -156.63 106.74 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -90.95 142.05 28.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.73 141.9 14.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -164.12 123.96 2.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.8 m -88.45 164.48 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -150.71 -93.81 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 171.87 13.7 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.22 142.19 28.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.596 0.712 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.18 24.9 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -108.79 172.13 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 21.2 m -82.69 126.32 32.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.28 128.27 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -47.35 170.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 71' ' ' GLN . 1.3 p -148.99 156.69 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.089 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.484 ' N ' ' CG2' ' A' ' 70' ' ' VAL . 20.2 mt-30 -106.89 123.63 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -119.26 129.59 55.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -121.49 155.45 34.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 74' ' ' ARG . 3.5 tmt_? -95.92 121.82 38.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 35.0 m -157.8 164.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -101.07 163.1 12.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -116.59 100.21 7.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.9 mp -65.74 -43.07 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.53 -177.81 22.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.492 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.55 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 24.2 ttp -103.72 133.15 49.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.7 OUTLIER -124.04 120.09 26.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.67 0.748 . . . . 0.0 110.868 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.504 ' N ' HD13 ' A' ' 81' ' ' LEU . 54.0 Cg_endo -69.8 141.86 46.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.51 172.56 15.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.21 -23.0 11.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.3 mtt-85 -113.37 142.15 27.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.67 29.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.36 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.749 HG12 ' CB ' ' A' ' 142' ' ' PHE . 18.6 m -143.37 -176.32 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.97 121.22 3.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -62.09 -24.03 66.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.76 -22.71 46.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 15.8 m -85.27 -50.77 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 153' ' ' ALA . 8.7 tt -60.55 -54.16 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -53.39 -57.28 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -42.17 -47.27 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.456 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -56.33 -43.14 78.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.483 ' HA ' HG21 ' A' ' 167' ' ' VAL . 59.4 mt -51.12 -61.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.12 -32.47 47.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.423 ' O ' HG22 ' A' ' 101' ' ' THR . 8.0 t-20 -63.29 -52.77 60.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 167' ' ' VAL . 10.9 mt -70.09 -34.19 72.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -56.24 -47.48 78.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 98' ' ' ASN . 11.2 t -74.09 -24.93 59.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.9 t -61.53 -54.43 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.815 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.2 m -126.61 157.02 39.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.484 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.5 m -75.85 177.91 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -68.19 -36.31 79.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -81.4 -21.44 38.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.18 -34.6 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 2.5 m0 -67.28 118.45 56.41 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 132.53 23.48 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.0 m -62.79 117.56 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 m -120.93 -177.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -135.44 133.85 39.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 7.9 ttm -86.35 109.08 18.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -92.36 98.28 11.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.5 t -99.47 105.49 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -146.71 147.53 31.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.7 t0 40.23 43.67 1.44 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.496 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.09 43.52 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.9 m -130.46 125.43 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 89.2 t -100.54 97.65 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 92.7 m -118.36 114.48 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.603 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 90.3 t -78.76 96.43 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.405 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 4.7 mm -91.77 134.79 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 t -51.21 161.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -63.58 -62.15 1.86 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 36.4 pttt -80.8 -50.34 9.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 82.0 m-20 -73.59 131.12 41.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.405 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 58.9 tt0 -102.57 -23.87 13.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -100.81 18.66 18.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.426 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 12.2 tp10 -78.92 -39.1 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.703 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.3 p 41.85 45.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 131' ' ' VAL . 62.1 mt -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.09 144.15 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -128.1 111.26 13.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.6 t -126.1 144.37 50.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -116.02 120.47 39.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 70.2 t -47.98 -47.52 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -49.87 -27.24 4.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -94.06 -31.45 14.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.5 tt -45.31 121.75 3.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.6 t -88.49 -58.48 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.749 ' CB ' HG12 ' A' ' 87' ' ' VAL . 16.7 t80 -138.85 153.01 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.588 ' HB3' HD21 ' A' ' 140' ' ' LEU . 1.2 ptt? -151.58 150.85 30.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.06 176.28 46.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.9 m -107.64 162.6 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.376 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -85.11 -175.88 50.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 148' ' ' ASP . 0.0 OUTLIER -44.53 -29.48 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.45 ' N ' ' HG2' ' A' ' 147' ' ' LYS . 11.8 m-20 -112.28 137.64 50.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.547 HG11 HD13 ' A' ' 18' ' ' LEU . 31.4 m -59.46 -36.46 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -53.45 -29.62 36.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 69.1 p -91.75 125.56 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -130.4 121.55 26.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.426 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -125.96 173.6 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.404 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 21.7 p90 -164.66 147.33 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 95.1 mt -100.97 132.45 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -128.74 157.87 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -103.96 130.54 51.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 164' ' ' GLU . 16.0 p -101.15 -52.45 3.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 167.03 156.53 9.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 58.9 53.18 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 48.87 42.13 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 75.5 mmt-85 -104.6 149.43 25.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -137.76 130.08 29.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.411 ' CD ' HG21 ' A' ' 158' ' ' THR . 93.7 mt-10 -118.22 139.68 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 25.6 t -114.65 111.29 21.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.55 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 86.8 m-70 -105.01 141.07 37.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 96' ' ' ILE . 20.8 t -113.69 147.15 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.603 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 62.8 m-85 -145.76 139.29 26.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.7 t-105 -91.17 134.01 34.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 177' ' ' VAL . 84.2 m -121.58 145.32 48.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.2 mm-40 -135.43 135.6 22.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.2 Cg_endo -69.79 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 -1.801 . . . . 0.0 112.331 0.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -120.19 176.57 5.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -99.22 26.29 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.402 ' HB3' ' OE1' ' A' ' 14' ' ' GLU . . . -76.64 -42.96 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -71.46 -20.04 62.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.491 HG21 ' SG ' ' A' ' 170' ' ' CYS . 53.4 t -91.06 -51.87 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 92.3 p -60.06 -14.19 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -94.74 -37.53 11.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -69.15 -36.48 77.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 182' ' ' GLN . 11.1 p -74.71 -41.34 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.454 ' N ' HG13 ' A' ' 181' ' ' VAL . 6.4 tt0 -60.56 -47.53 85.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.22 -34.12 30.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.496 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -65.38 -33.37 75.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 27.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m 56.8 43.41 25.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -125.51 135.09 51.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.46 143.32 8.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -161.69 164.75 28.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.9 m -134.11 163.42 29.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -127.59 53.21 0.8 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.8 m-20 -174.97 170.62 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.16 -55.41 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.19 131.02 50.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.61 149.4 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 12' ' ' THR . 1.2 p -67.99 152.12 96.66 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -8.66 24.17 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.695 2.264 . . . . 0.0 112.359 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.8 -40.8 8.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 18' ' ' LEU . 11.0 mt-10 -57.46 -49.31 76.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' GLU . 98.3 mtt180 -36.43 -64.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -43.16 -38.53 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' ' 175' ' ' ALA . 59.3 mt -75.59 -39.13 58.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.8 t -52.13 -38.89 58.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.2 mttm -70.12 -41.11 74.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.6 mmt -55.21 -25.35 32.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -86.33 -37.32 18.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -55.73 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -114.81 -37.48 4.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 -175.67 19.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -126.23 91.67 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.64 161.55 1.04 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.665 HD22 HD22 ' A' ' 140' ' ' LEU . 25.1 t-20 -86.57 119.93 71.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -47.83 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.317 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.9 m -47.28 -46.38 24.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -44.62 79.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt -60.09 -28.78 68.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -63.44 -36.15 82.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -122.01 70.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -96.61 -48.02 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -116.29 172.07 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 ttp -102.81 115.35 30.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -92.58 135.2 34.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -134.82 124.66 25.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -83.09 -47.47 11.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.77 146.28 19.63 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 108.3 2.07 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.634 2.222 . . . . 0.0 112.341 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 t -148.6 122.83 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.3 t -147.8 148.73 31.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 46' ' ' ILE . . . 47.17 88.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.5 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.798 ' H ' HD12 ' A' ' 46' ' ' ILE . 5.3 mp -34.56 107.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' GLY . 0.3 OUTLIER -166.34 111.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' GLU . . . 37.13 -100.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -104.62 -54.09 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 50.55 92.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 83.8 p -151.44 131.71 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 t -174.09 143.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 96.8 123.2 4.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 m -93.28 173.63 7.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.5 t -82.06 137.53 35.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.38 104.56 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.5 p -156.08 123.3 5.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.87 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.7 t -70.52 -58.13 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.808 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.12 92.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.9 t -160.65 145.3 14.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.1 p -159.62 165.81 31.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -126.92 65.43 0.57 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.36 3.74 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.335 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.4 p -67.35 142.9 96.99 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.689 . . . . 0.0 111.181 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.82 40.61 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.277 . . . . 0.0 112.32 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.98 160.96 25.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.1 m -88.89 124.31 34.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -126.19 124.33 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mt -100.6 166.98 10.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.537 HG21 ' OD1' ' A' ' 114' ' ' ASN . 3.0 p -129.36 139.41 51.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -108.74 120.0 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -108.17 110.05 21.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -103.39 163.14 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -106.71 110.19 22.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.2 m -145.32 168.29 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -106.08 168.38 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -121.86 111.72 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.489 HD22 HG11 ' A' ' 167' ' ' VAL . 8.3 mp -70.29 -59.7 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.596 ' HA3' HD22 ' A' ' 99' ' ' LEU . . . 168.65 179.48 40.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.628 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 3.0 tpt -100.07 104.53 16.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -112.09 114.11 51.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.82 137.0 34.25 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.641 2.228 . . . . 0.0 112.348 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.42 HG23 ' HB2' ' A' ' 163' ' ' PHE . 0.6 OUTLIER -105.84 170.61 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -99.41 -26.41 14.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -124.54 144.29 45.76 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.662 0.744 . . . . 0.0 110.848 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.476 ' HD3' ' CE2' ' A' ' 163' ' ' PHE . 53.9 Cg_endo -69.75 -19.52 36.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.676 HG12 ' HB2' ' A' ' 142' ' ' PHE . 15.6 m -138.58 172.63 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.03 144.58 10.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -81.85 -59.19 2.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -40.82 -29.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 59.4 m -83.09 -49.47 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -58.05 -44.81 87.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' SER . 3.1 m-80 -64.08 -56.95 11.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 93' ' ' ASN . 4.0 t -36.15 -48.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.18 77.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.484 ' HA ' HG21 ' A' ' 167' ' ' VAL . 75.4 mt -49.15 -54.52 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -57.12 -42.23 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.497 ' O ' HG22 ' A' ' 101' ' ' THR . 11.3 t-20 -52.77 -62.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.851 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' HA3' ' A' ' 79' ' ' GLY . 10.5 mt -63.41 -32.57 74.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.4 mmt -53.0 -44.08 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 98' ' ' ASN . 5.1 t -80.89 -28.24 36.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.9 m -66.09 -52.57 47.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.8 m -116.97 148.4 41.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.5 m -80.38 157.72 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 108' ' ' TRP . 66.3 tttt -49.21 -40.28 32.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.24 -37.97 31.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -46.41 -36.81 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.493 ' CZ2' ' HA ' ' A' ' 105' ' ' LYS . 3.9 m0 -59.9 120.09 47.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 136.97 34.26 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 84.9 p -66.6 114.19 5.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 35.6 m -123.64 176.82 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.087 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -130.28 140.56 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 18.3 tpp -92.46 99.62 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.537 ' OD1' HG21 ' A' ' 70' ' ' VAL . 33.8 t30 -84.28 95.97 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 96.2 t -97.52 109.84 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.84 148.33 28.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.8 t0 39.55 47.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.441 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 53.69 46.83 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 23.5 m -138.1 118.13 13.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 135' ' ' CYS . 92.1 t -95.95 99.85 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.581 ' CG2' HG23 ' A' ' 131' ' ' VAL . 12.4 m -115.5 121.03 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.409 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 90.1 t -83.34 97.22 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.638 HD13 ' HA ' ' A' ' 131' ' ' VAL . 16.0 mm -94.12 133.5 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.086 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.9 t -64.9 138.06 58.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.419 ' O ' ' CD ' ' A' ' 125' ' ' GLU . 0.4 OUTLIER -59.9 -38.91 83.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -74.29 -54.57 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -103.27 129.41 50.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -87.11 -28.82 22.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.18 33.76 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.479 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 35.5 tp10 -94.64 -39.88 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.681 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.1 p 43.78 49.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 131' ' ' VAL . 33.4 mt -36.75 -52.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 85.5 t -129.65 136.88 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -121.49 96.85 5.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 120' ' ' VAL . 53.8 t -117.13 141.12 48.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -118.57 123.73 45.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.454 HG21 ' HB1' ' A' ' 184' ' ' ALA . 60.7 t -38.49 -35.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.1 mtm-85 -57.8 -45.88 85.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -74.52 -25.82 59.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.665 HD22 HD22 ' A' ' 28' ' ' ASN . 6.6 tt -55.98 132.01 48.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 35.4 p -105.36 -48.78 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.826 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.676 ' HB2' HG12 ' A' ' 87' ' ' VAL . 18.0 t80 -146.17 153.96 41.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.418 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.8 ptp -148.03 154.28 40.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.69 -174.46 44.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 4.9 m -118.98 154.03 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 111.157 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.447 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -80.1 -167.81 36.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -25.55 11.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -112.86 124.17 52.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.467 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 26.9 m -55.21 -16.49 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 55.0 m80 -73.28 -27.5 61.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 29.4 p -92.74 122.4 35.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -121.87 113.99 20.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -125.07 157.25 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.435 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.8 p90 -146.17 144.39 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 60.3 mt -98.19 113.73 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -108.89 160.64 15.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -113.49 123.06 49.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.0 p -91.16 -40.92 11.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 157.74 -179.18 33.66 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 48.1 31.75 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.749 0.309 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 62.74 35.21 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.417 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 29.1 mmt-85 -95.03 158.72 15.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.476 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 7.7 m-85 -137.55 123.9 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.442 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 69.9 mt-10 -119.45 144.7 46.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.513 ' N ' ' HE1' ' A' ' 80' ' ' MET . 1.8 t -124.26 121.95 36.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.628 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 85.7 m-70 -111.82 117.52 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.489 HG11 HD22 ' A' ' 78' ' ' LEU . 40.6 t -91.0 139.42 17.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 77.4 m-85 -139.13 136.89 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 36.4 t-105 -91.83 137.03 32.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.7 m -124.54 161.77 25.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 39.7 mt-10 -150.45 137.67 11.62 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.75 -48.02 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.34 0.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -118.76 175.74 5.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 149' ' ' VAL . . . -103.05 39.46 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.445 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -85.01 -51.85 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -64.83 -23.91 67.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.71 -42.72 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 89.2 p -68.49 -33.79 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.94 -38.4 37.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.3 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.57 -33.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -59.88 -27.98 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -73.87 -28.88 61.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 137' ' ' VAL . . . -62.36 -44.26 96.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.06 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 7.8 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m 58.1 42.36 22.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -50.74 112.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.34 141.08 7.16 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -112.02 174.89 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.1 t -117.67 -57.96 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 157.91 157.24 8.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 22.7 m-20 -162.74 123.13 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.04 -51.59 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.78 139.97 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.588 HG22 ' N ' ' A' ' 12' ' ' THR . 11.7 p -96.16 166.18 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.588 ' N ' HG22 ' A' ' 11' ' ' VAL . 4.1 p -94.06 149.65 37.21 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.56 0.695 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.54 21.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -92.87 -44.05 8.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 18' ' ' LEU . 37.5 mt-10 -63.15 -46.05 88.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -38.73 -48.56 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -66.15 -45.01 82.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.674 HD13 ' HB ' ' A' ' 149' ' ' VAL . 16.9 mt -58.38 -33.98 70.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -53.26 -33.86 54.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -59.47 -43.06 93.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 mmt -65.83 -11.65 48.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 86.5 mt-30 -106.54 -31.32 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -67.28 -74.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.52 -31.11 7.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.22 -173.78 26.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 47.0 t80 -134.86 108.13 7.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -90.07 163.45 14.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 55.8 t-20 -101.06 99.19 10.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -26.16 27.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.35 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 86.8 m -52.67 -32.77 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.93 -52.11 18.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -83.53 37.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -74.46 -48.13 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -70.28 -30.66 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -90.86 55.9 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.403 ' H ' ' CD ' ' A' ' 36' ' ' GLN . 2.9 pm0 -80.81 170.52 16.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -103.19 112.89 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -152.65 128.65 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -95.73 109.26 21.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.2 t -45.61 -60.53 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.23 147.61 5.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -33.17 16.93 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.244 . . . . 0.0 112.331 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 t -112.36 112.3 23.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -83.46 -59.68 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.07 95.94 1.98 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.91 20.49 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.15 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.31 -59.48 1.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 56.82 90.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -76.32 66.22 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 109.25 -104.38 1.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.6 t -50.82 161.68 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 t -156.86 169.03 25.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.7 165.8 12.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.43 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -168.57 133.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -154.95 143.6 20.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.57 144.54 7.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -161.47 149.57 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.856 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -130.21 116.9 19.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.46 79.69 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -146.61 157.39 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.2 t -157.67 145.6 18.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -140.39 141.69 11.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 134.49 27.93 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.334 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.4 p -108.53 143.02 26.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.591 0.71 . . . . 0.0 111.13 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 131.63 21.54 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 67' ' ' THR . 14.7 pttp -143.12 159.94 41.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' LYS . 69.4 p -35.03 117.28 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -88.76 -7.99 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD23 ' H ' ' A' ' 69' ' ' LEU . 2.6 pt? -119.63 173.15 7.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.769 HG22 ' CB ' ' A' ' 116' ' ' ALA . 25.0 t -115.11 129.76 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -97.46 125.2 41.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -121.89 133.75 54.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -124.79 152.54 43.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 74' ' ' ARG . 3.8 tmt_? -98.29 110.3 22.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.9 m -142.81 176.13 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -110.23 168.28 9.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -124.37 116.44 22.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.449 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.2 mp -79.22 -45.72 19.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 144.82 168.88 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 14.0 ttp -86.62 136.34 33.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.335 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.58 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -131.79 122.19 18.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.664 0.745 . . . . 0.0 110.891 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.479 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.75 132.07 22.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -113.97 154.67 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -89.72 -25.12 21.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -117.94 143.37 32.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.717 . . . . 0.0 110.885 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -21.49 33.31 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.6 m -142.43 -176.33 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.57 10.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.2 mmt -80.67 -49.44 11.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -51.09 -46.65 61.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -59.16 -40.88 86.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.67 -57.58 12.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.477 ' HA ' HD12 ' A' ' 96' ' ' ILE . 0.7 OUTLIER -56.09 -47.52 77.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.8 t -42.2 -47.43 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.86 -50.93 45.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.132 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 93' ' ' ASN . 82.0 mt -46.31 -57.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -62.52 -55.76 24.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 81' ' ' LEU . 8.9 mt -67.19 -36.77 82.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -49.3 -48.62 46.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.7 t -80.11 -12.85 59.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.3 t -76.3 -19.49 58.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.66 179.85 8.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.405 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 49.6 m -100.57 165.16 11.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.3 tttt -61.77 -40.8 96.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -79.34 -16.3 56.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.5 -19.76 61.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.449 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 11.0 m0 -74.04 121.24 84.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.627 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.9 Cg_endo -69.71 119.04 6.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -56.38 106.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 109' ' ' PRO . 12.3 m -105.98 -178.22 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -132.54 128.5 37.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.8 tpp -86.5 103.68 15.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.457 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 44.4 t30 -90.65 96.25 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.3 t -96.61 100.81 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.769 ' CB ' HG22 ' A' ' 70' ' ' VAL . . . -148.73 150.36 33.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.0 t0 42.71 49.94 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.02 44.12 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.616 HG23 ' HG3' ' A' ' 136' ' ' ARG . 17.0 m -137.42 116.12 12.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 48.3 t -87.14 106.05 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -117.82 120.56 38.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 54.2 t -90.06 93.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 5.2 mm -88.77 138.09 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 37.6 t -69.34 140.97 54.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -57.88 -33.26 68.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -101.53 36.14 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -171.78 160.07 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -121.88 -34.25 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -102.55 15.42 29.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.418 ' C ' HG12 ' A' ' 131' ' ' VAL . 13.7 tp10 -69.51 -39.56 77.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.702 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.2 p 41.41 47.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.5 mt -34.19 -42.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.4 t -144.33 131.25 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.28 104.18 11.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 21.6 t -121.82 144.57 48.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.616 ' HG3' HG23 ' A' ' 119' ' ' THR . 35.6 mtt-85 -121.65 122.88 40.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 48.5 t -38.25 -45.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -46.75 -44.56 19.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -74.93 -35.69 62.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 141' ' ' SER . 2.7 tt -47.95 136.16 11.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.42 ' N ' HD23 ' A' ' 140' ' ' LEU . 95.9 p -110.82 -52.11 2.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -144.71 155.65 43.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -152.72 157.39 40.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -171.57 -158.38 15.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.411 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 6.0 m -134.21 163.94 35.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.103 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.38 179.26 43.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 31.5 pttt -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -109.72 120.11 41.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.674 ' HB ' HD13 ' A' ' 18' ' ' LEU . 35.2 m -43.97 -33.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -54.29 -42.68 70.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 40.1 p -72.82 130.08 39.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -135.03 118.54 16.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -128.49 172.29 11.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -156.63 149.46 23.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 54.5 mt -109.74 117.63 55.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.5 ptm -117.66 168.17 10.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -112.3 102.82 10.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 38.0 p -68.95 -55.08 12.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.131 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 167.67 169.38 31.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.481 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 58.68 30.47 19.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.66 29.35 10.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.438 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 12.3 mmt85 -92.68 156.84 16.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 7.6 m-85 -137.87 120.9 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -110.94 156.34 21.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 32.6 t -132.4 105.05 7.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -97.85 130.59 44.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 168' ' ' PHE . 2.4 t -103.01 152.95 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 167' ' ' VAL . 81.1 m-85 -153.15 139.08 18.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 50.6 t-105 -92.37 128.5 38.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 86.8 m -100.91 150.41 22.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.449 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.6 mt-10 -138.49 124.81 12.78 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.875 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.76 -50.46 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 -1.814 . . . . 0.0 112.376 -0.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 55.4 p30 -119.92 173.37 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.406 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -89.93 32.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.57 -54.88 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -74.09 -29.35 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.16 -48.18 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.1 m -69.97 -22.25 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -81.8 -47.43 12.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.77 -32.13 67.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 184' ' ' ALA . 7.6 p -79.27 -38.93 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 29.8 tt0 -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -43.58 -33.1 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 181' ' ' VAL . . . -60.56 -42.21 96.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -61.93 156.99 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m -97.14 -57.33 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.12 -150.56 39.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 38.74 50.54 1.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -163.48 143.47 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.84 -127.45 0.9 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -173.13 163.53 4.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.809 0.338 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.88 -65.14 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.18 137.21 35.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 12' ' ' THR . 12.6 p -72.97 155.87 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.429 ' N ' HG22 ' A' ' 11' ' ' VAL . 15.2 p -83.96 151.0 59.88 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -9.46 26.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -95.28 -38.83 10.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' LEU . 13.1 mt-10 -64.56 -46.13 84.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -38.31 -39.69 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.27 -42.42 72.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 175' ' ' ALA . 18.3 mt -68.55 -57.46 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 18' ' ' LEU . 90.3 p -36.9 -50.99 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -50.47 -46.68 56.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.9 mtt -54.25 -32.29 55.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 145' ' ' VAL . 41.5 mt-30 -77.85 -26.69 49.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -60.63 -67.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -125.63 -37.63 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.82 -168.96 12.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -137.88 105.41 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' CE1' ' A' ' 26' ' ' TYR . 2.8 mp0 -81.11 156.21 25.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.662 ' ND2' HG22 ' A' ' 30' ' ' THR . 19.2 t30 -93.04 108.17 30.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.78 -38.64 7.48 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.618 2.212 . . . . 0.0 112.359 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.662 HG22 ' ND2' ' A' ' 28' ' ' ASN . 6.5 t -52.97 -29.1 26.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -69.11 -49.12 60.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 29' ' ' PRO . 13.7 ptmt -70.19 -43.85 69.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.31 -51.4 70.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -57.36 -46.07 83.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -84.45 42.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.09 103.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 35.3 mmm -115.62 -40.64 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -75.63 97.23 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -125.73 89.41 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -141.99 142.8 32.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -173.1 176.07 45.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 174.84 8.94 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.337 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.7 t 54.49 46.47 24.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -87.36 168.61 13.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.21 133.74 8.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 46' ' ' ILE . 4.8 mp -131.32 56.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 111.129 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -96.46 151.54 19.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.03 148.29 4.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 37.0 mtm-85 -118.18 40.02 3.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 69.35 104.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.7 m -133.05 138.75 46.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -137.78 139.52 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.46 -156.27 23.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 98.0 p -118.8 148.98 42.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.842 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.1 m -159.35 139.81 12.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -133.56 108.9 0.77 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 m -80.46 156.41 26.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.38 . . . . 0.0 110.831 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 m -113.94 154.37 27.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.77 149.87 42.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 m -120.07 150.58 40.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -161.2 113.78 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.53 -178.67 16.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.61 54.65 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.1 p -137.52 143.53 41.29 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.58 0.705 . . . . 0.0 111.112 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -177.85 2.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.352 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -112.3 94.93 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 31.8 m -81.7 127.58 33.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -129.68 18.85 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 pp -98.41 165.22 11.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' A' ' 116' ' ' ALA . 7.6 p -164.45 136.89 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.497 ' NE2' ' HB1' ' A' ' 180' ' ' ALA . 19.1 mt-30 -106.11 120.65 42.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -110.49 113.74 26.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 98.8 m-85 -110.74 163.08 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.488 ' O ' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -107.5 125.88 51.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 74' ' ' ARG . 21.7 m -160.1 178.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -113.2 157.41 21.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -114.0 108.8 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.5 mp -74.47 -32.62 62.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.976 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.93 -166.74 24.55 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.565 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 20.1 ttp -112.0 128.13 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -123.82 122.15 26.41 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.592 0.711 . . . . 0.0 110.927 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.526 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.85 132.07 22.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.8 m -109.45 154.78 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.39 -30.96 24.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.5 mtp85 -122.65 144.77 43.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 -16.97 37.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.281 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.2 m -141.7 175.82 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.8 134.61 6.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.487 ' O ' ' ND2' ' A' ' 93' ' ' ASN . 0.8 OUTLIER -69.06 -57.76 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.723 0.297 . . . . 0.0 110.832 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -44.57 -39.23 4.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.4 m -65.77 -46.45 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.0 tp -51.01 -65.02 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -53.52 -55.19 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' ASN . 10.4 t -35.42 -43.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.435 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -73.01 -50.81 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.515 HG23 HG11 ' A' ' 167' ' ' VAL . 19.6 mt -40.95 -55.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 98' ' ' ASN . 56.4 mt-10 -57.62 -53.82 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 97' ' ' GLU . 7.7 t-20 -36.13 -42.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.4 mt -81.32 -45.85 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -41.77 -42.29 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.9 t -81.07 -31.86 34.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t -57.64 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.4 p -128.81 157.23 42.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 67.3 m -82.52 163.66 21.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.818 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -54.32 -44.49 72.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -71.97 -31.62 66.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -61.78 -20.97 64.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.516 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 23.5 m0 -73.92 119.79 77.99 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.609 0.719 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 121.43 8.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.731 2.287 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -57.34 118.48 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.5 m -121.22 177.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -129.32 141.39 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 35.6 ttm -95.17 104.06 15.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.433 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 32.6 t30 -93.84 96.27 9.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 44.1 t -98.38 101.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.657 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -137.58 140.84 41.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.9 t70 51.17 40.96 27.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 57.99 44.8 19.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.43 HG23 ' HG2' ' A' ' 136' ' ' ARG . 26.9 m -140.1 119.16 12.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.149 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.5 t -87.97 111.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -121.85 113.89 20.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.11 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.604 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 69.8 t -81.46 94.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mm -92.15 139.24 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.3 t -59.87 154.01 19.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -51.56 -57.47 9.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -70.89 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -51.64 118.27 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -89.01 -23.66 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -104.22 38.63 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.46 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 38.4 tp10 -95.82 -40.69 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.704 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.1 p 43.11 46.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -36.25 -39.19 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.4 t -146.66 129.43 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.166 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -114.09 104.4 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.4 t -118.85 146.54 44.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG2' HG23 ' A' ' 119' ' ' THR . 92.6 mtt180 -119.6 122.4 41.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.7 t -40.1 -49.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -50.43 -41.04 51.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -73.56 -31.12 63.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.413 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 7.3 tt -51.47 123.12 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 60.7 p -92.99 -53.14 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -150.38 151.08 32.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.66 160.03 42.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.94 -168.26 34.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.472 HG23 ' HG2' ' A' ' 22' ' ' GLN . 21.6 m -121.78 150.68 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.865 0.364 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.407 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -79.8 -167.6 35.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.504 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -48.53 -33.4 9.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 149' ' ' VAL . 4.3 m-20 -116.46 112.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.418 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.9 m -35.97 -40.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.418 ' N ' HG23 ' A' ' 149' ' ' VAL . 70.5 m80 -40.84 -47.92 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.7 p -75.89 126.82 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -125.65 119.86 29.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -129.61 162.35 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.433 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.2 p90 -151.82 142.94 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 65.4 mt -97.53 132.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . 0.543 ' SD ' HG23 ' A' ' 158' ' ' THR . 1.4 ppp? -134.93 169.68 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 159' ' ' GLY . 2.4 t0 -112.87 133.14 55.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.543 HG23 ' SD ' ' A' ' 156' ' ' MET . 53.7 p -110.13 -1.23 17.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 157' ' ' ASP . . . 116.3 172.33 16.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.34 32.97 17.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 57.47 34.55 24.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -102.58 146.0 28.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -130.45 122.12 27.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -111.01 149.1 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.5 t -122.88 105.65 10.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 99.9 m-70 -92.39 125.89 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.515 HG11 HG23 ' A' ' 96' ' ' ILE . 5.3 t -103.36 154.03 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.604 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 77.8 m-85 -153.91 144.34 22.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 39.2 t-105 -95.65 127.18 41.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.457 ' SG ' HG21 ' A' ' 177' ' ' VAL . 69.7 m -115.67 151.74 34.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.543 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 35.0 mt-10 -142.45 139.21 17.22 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.628 0.728 . . . . 0.0 110.913 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.8 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.314 0.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 29.8 p-10 -124.11 157.63 34.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.74 41.79 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.5 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -87.07 -42.83 12.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -74.88 -25.73 59.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.457 HG21 ' SG ' ' A' ' 170' ' ' CYS . 61.5 t -83.71 -44.83 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.6 p -66.15 -37.01 84.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -73.42 -35.47 65.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.497 ' HB1' ' NE2' ' A' ' 71' ' ' GLN . . . -68.04 -47.95 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 182' ' ' GLN . 11.9 p -66.58 -40.75 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 181' ' ' VAL . 3.2 tt0 -66.06 -35.43 80.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.07 84.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.57 78.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . 0.408 ' CB ' ' OH ' ' A' ' 26' ' ' TYR . 87.9 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 52.24 45.13 28.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -150.94 161.24 43.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.85 -84.0 1.34 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p 48.1 42.15 16.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.2 t -58.38 -52.22 66.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.75 -137.27 41.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.62 179.12 5.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.94 -68.75 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.68 127.33 35.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 12' ' ' THR . 13.4 p -66.66 156.26 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.441 ' N ' HG22 ' A' ' 11' ' ' VAL . 2.4 p -95.16 152.48 39.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.58 0.705 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -13.12 34.09 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' OE1' ' HB1' ' A' ' 175' ' ' ALA . 25.4 mm-40 -91.22 -36.78 13.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 18' ' ' LEU . 17.0 mt-10 -63.49 -40.69 97.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -40.77 -33.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 17' ' ' HIS . 1.4 t60 -83.4 -36.88 23.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.481 HD13 HG11 ' A' ' 149' ' ' VAL . 53.2 mt -66.79 -38.3 86.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -49.05 -43.84 41.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -61.06 -51.63 68.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.3 mmt -46.42 -21.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.455 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 83.9 mt-30 -95.56 -35.91 11.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -53.02 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -121.56 -40.68 2.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -163.43 12.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -144.14 112.48 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -97.84 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -84.38 117.5 68.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.627 2.218 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.4 m -48.48 -45.25 36.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -58.7 -59.11 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -54.05 -53.92 46.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 34' ' ' PHE . 1.8 t80 -42.37 136.02 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER 32.72 50.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -70.44 -38.99 74.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -61.83 135.53 57.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 18.1 ptm -133.11 127.21 33.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -50.03 -51.16 44.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -47.17 155.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.0 t 57.54 47.93 15.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.8 89.17 0.1 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 151.64 68.89 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.644 2.229 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 p -88.64 7.37 33.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.7 m -134.92 102.58 5.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.43 88.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.3 pt -133.25 121.09 41.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.331 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' ILE . 12.4 mt-10 36.44 35.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.39 170.89 18.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.467 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -127.46 138.39 52.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -119.0 -153.24 9.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.6 t 44.18 44.43 6.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -101.82 99.32 9.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 83.15 -44.82 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.1 m -102.93 152.07 21.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.7 m -115.77 -48.17 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.69 133.48 7.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.449 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.6 t -164.69 143.18 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.0 m -60.01 -43.59 95.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.85 52.3 2.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 86.0 p -145.25 117.1 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.3 t -65.75 -55.3 17.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.71 155.48 10.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 176.6 6.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.47 142.25 13.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.556 0.693 . . . . 0.0 111.149 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 150.39 67.94 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.448 ' HE2' ' N ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -50.75 133.37 26.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 67' ' ' THR . 12.9 t -155.96 124.14 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -131.06 22.71 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' H ' HD23 ' A' ' 69' ' ' LEU . 1.7 pt? -121.85 164.66 17.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 p -169.26 151.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -119.39 128.33 53.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -118.42 112.2 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -106.42 162.42 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -100.53 113.05 25.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 111' ' ' VAL . 33.2 m -149.5 164.19 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -106.91 164.25 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -117.47 108.88 16.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.476 HD13 HG12 ' A' ' 167' ' ' VAL . 7.7 mp -67.75 -51.34 50.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.04 -175.87 33.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.496 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 0.0 OUTLIER -101.22 105.18 16.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.774 0.321 . . . . 0.0 110.863 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.631 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.9 OUTLIER -113.33 119.36 42.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.631 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.8 144.99 55.6 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.361 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -114.27 165.67 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -94.64 -26.36 16.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -125.74 145.26 50.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -18.94 36.76 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.746 2.297 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.91 HG12 ' HB2' ' A' ' 142' ' ' PHE . 27.1 m -145.7 177.01 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.96 146.56 14.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.4 mmt -78.8 -53.9 6.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -51.73 -20.72 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 39.5 m -88.76 -48.42 7.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.479 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -61.93 -56.54 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 94' ' ' SER . 6.6 m-80 -47.76 -52.49 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 93' ' ' ASN . 23.2 t -38.42 -42.98 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -62.15 -58.79 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.427 ' HA ' HG21 ' A' ' 167' ' ' VAL . 77.0 mt -35.95 -62.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -53.26 -48.54 68.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.599 ' O ' HG22 ' A' ' 101' ' ' THR . 11.5 t-20 -42.65 -60.37 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 57.0 mt -65.04 -43.56 91.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.0 mtt -46.1 -44.22 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 98' ' ' ASN . 12.4 t -80.62 -21.61 41.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.3 m -72.59 -39.87 67.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.75 179.66 6.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.914 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.7 m -104.57 163.09 12.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.34 -41.92 73.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.26 -35.99 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -49.9 -36.4 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 5.5 m0 -61.86 120.29 55.77 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.581 0.705 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.478 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.3 Cg_endo -69.8 134.55 28.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -61.91 114.96 3.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 75' ' ' VAL . 17.6 m -121.95 176.18 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.164 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -133.62 140.75 47.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.9 tpp -91.51 105.27 17.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -93.07 96.61 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.09 113.44 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.43 123.16 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.7 t0 62.34 47.36 5.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.423 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 56.47 40.09 29.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -131.16 119.17 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.92 99.51 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 21.1 m -113.76 114.56 26.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.36 104.71 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 131' ' ' VAL . 6.8 mm -100.61 135.92 34.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.0 t -53.34 157.05 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -59.76 -42.18 92.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -97.41 -69.01 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -56.54 125.51 22.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -93.07 -26.6 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -102.14 26.52 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.6 tp10 -85.66 -30.48 23.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.641 ' O ' HG22 ' A' ' 131' ' ' VAL . 8.6 p 33.5 49.75 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 131' ' ' VAL . 78.8 mt -36.08 -41.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.72 140.67 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -123.48 103.21 8.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.1 t -117.7 151.03 38.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 137' ' ' VAL . 84.3 mtt180 -129.15 121.19 27.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 136' ' ' ARG . 83.9 t -35.43 -53.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 138' ' ' ARG . 14.0 mtp-105 -39.23 -45.65 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -73.4 -41.14 63.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.5 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.3 tt -39.92 113.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.9 p -89.84 -48.03 7.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.91 ' HB2' HG12 ' A' ' 87' ' ' VAL . 38.7 t80 -148.74 147.27 28.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.5 ' HB3' HD21 ' A' ' 140' ' ' LEU . 2.7 ptt? -145.57 146.31 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.04 -179.82 39.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 6.5 m -115.94 150.06 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 111.167 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -82.77 -178.13 52.24 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 146' ' ' GLY . 48.9 mtpt -35.71 -46.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.29 113.2 26.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.1 m -38.6 -44.12 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.493 ' N ' HG23 ' A' ' 149' ' ' VAL . 79.3 m80 -35.22 -42.77 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 65.1 p -82.09 133.25 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -134.03 113.95 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.654 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -126.85 156.65 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -146.25 146.23 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.7 mt -100.62 121.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.2 ptm -121.31 165.5 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -104.53 120.72 41.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 62.6 p -96.5 -17.59 20.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 131.81 169.97 12.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.472 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 53.35 33.18 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 59.38 32.86 22.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -93.88 153.32 18.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -133.91 118.24 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.434 ' CD ' ' SD ' ' A' ' 80' ' ' MET . 56.6 mt-10 -113.11 146.95 38.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.2 t -118.61 114.96 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 168' ' ' PHE . 95.9 m-70 -104.89 107.62 18.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 153' ' ' ALA . 30.1 t -87.52 151.45 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 76.1 m-85 -151.23 142.1 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -94.21 130.25 40.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.8 m -115.06 152.0 33.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 31.1 mt-10 -140.43 134.94 15.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.82 -48.16 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.33 0.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -120.48 179.88 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -103.47 34.06 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.063 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.491 ' HB1' ' OE1' ' A' ' 14' ' ' GLU . . . -81.8 -47.85 12.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -68.74 -30.02 68.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.26 -49.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.8 p -57.23 -37.98 73.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 180' ' ' ALA . 9.3 pt-20 -76.46 -38.2 55.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 179' ' ' GLU . . . -59.29 -44.99 92.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.095 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 182' ' ' GLN . 14.8 p -75.4 -42.46 42.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.45 ' N ' HG13 ' A' ' 181' ' ' VAL . 23.5 tt0 -51.94 -54.9 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.34 -49.51 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -43.55 -46.43 7.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.4 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -114.64 138.61 50.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.918 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 m -126.17 149.52 48.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -140.75 95.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.531 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' GLY . 22.2 t -35.65 -49.53 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 m 59.81 43.06 15.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.74 172.71 14.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -116.59 94.79 4.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.58 164.19 36.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.96 130.59 47.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -48.52 146.82 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.072 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 p -77.25 150.8 80.69 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.536 0.684 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -7.84 22.07 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.326 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -95.29 -44.28 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 18' ' ' LEU . 15.9 mt-10 -56.15 -52.43 64.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -39.4 -50.67 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -54.88 -50.25 69.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 175' ' ' ALA . 16.6 mt -58.72 -49.83 76.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.2 t -38.82 -51.72 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -57.11 -44.38 83.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.6 mtt -59.15 -30.4 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.554 ' HG2' HG23 ' A' ' 145' ' ' VAL . 53.7 mt-30 -83.81 -32.66 25.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -60.38 -63.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -126.73 -41.83 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -165.54 14.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -130.67 105.79 8.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -89.68 140.92 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -70.74 116.76 49.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.569 0.7 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -29.61 23.49 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 31' ' ' TYR . 6.6 p -67.1 -56.2 11.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 30' ' ' THR . 3.3 t80 -37.08 -46.37 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 35' ' ' GLU . 18.8 ttpt -50.75 -49.75 57.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -41.26 -33.64 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -70.73 -43.31 69.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' LYS . 14.7 mm-40 -50.92 -38.24 48.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -87.54 106.1 17.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.0 ptp -88.1 123.76 33.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -103.36 88.7 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -166.82 169.22 13.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.5 p -94.51 130.35 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.5 -175.75 26.88 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 155.35 66.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 36.2 t -85.62 -55.3 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' SER . 4.7 m -36.05 115.89 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.01 122.11 0.65 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 mt -88.6 55.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 111.165 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 39.48 42.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.86 165.96 32.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.05 5.34 5.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.16 -156.12 19.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.3 p -49.45 176.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.5 m -111.78 176.26 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.23 -118.81 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.5 t -163.64 169.94 17.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.376 . . . . 0.0 110.832 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -147.92 172.72 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -122.48 -166.64 12.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.7 m -87.84 138.91 31.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.1 t -130.75 -60.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.36 87.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.0 m -84.47 101.0 11.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.362 . . . . 0.0 110.855 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.3 t -68.57 126.78 30.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -134.99 147.05 19.01 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.3 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.08 142.2 18.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 176.47 6.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 0.0 112.349 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -70.5 122.38 19.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.9 m -124.5 129.29 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -118.95 -5.39 10.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.845 HD22 ' C ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -123.21 154.87 38.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' A' ' 116' ' ' ALA . 6.4 p -175.14 150.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -119.28 134.47 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -123.95 115.15 20.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 180' ' ' ALA . 84.2 m-85 -113.68 154.07 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.93 114.7 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.5 m -150.7 159.46 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -101.14 161.13 13.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -113.91 99.97 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.942 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 6.7 mp -55.38 -55.27 33.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 161.17 -170.9 37.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.1 ttp -103.06 131.14 50.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.15 116.63 6.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 150.78 68.88 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.349 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.83 154.07 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -83.28 -31.31 26.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -123.15 145.03 44.96 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.668 0.746 . . . . 0.0 110.812 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -20.67 34.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.244 . . . . 0.0 112.337 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.43 169.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 113.7 125.85 4.31 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.484 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.5 mmt -59.01 -60.2 4.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -43.91 -40.21 4.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.7 m -66.59 -52.57 43.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 92' ' ' LEU . 8.1 tt -61.12 -57.91 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.516 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.1 m-80 -47.3 -52.98 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -38.75 -49.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.3 -49.67 71.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 93' ' ' ASN . 82.2 mt -46.73 -57.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.97 -39.36 85.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 101' ' ' THR . 6.7 t-20 -51.78 -54.35 29.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.95 -42.88 69.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.5 mtt -45.64 -42.83 11.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 98' ' ' ASN . 15.0 t -80.61 -21.5 41.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.8 t -74.96 -49.19 20.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.4 m -121.55 171.83 8.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 51.5 m -97.66 163.21 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 17.9 tttm -56.01 -39.06 71.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -78.31 -42.32 31.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -45.0 -41.43 7.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 5.6 m0 -55.32 123.36 48.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.494 0.664 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 134.6 28.37 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 m -70.97 107.48 4.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.08 175.1 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -125.4 134.36 52.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.9 tpp -86.35 104.44 15.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -89.65 97.31 11.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.45 102.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.703 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.39 147.25 30.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 24.5 t0 43.31 50.5 5.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 45.44 44.96 10.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -136.21 111.59 9.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.6 t -83.69 112.21 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.0 m -128.27 129.45 46.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -94.7 100.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.54 HD13 ' HA ' ' A' ' 131' ' ' VAL . 22.6 mm -100.28 130.1 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -51.02 147.98 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -51.2 -59.29 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -75.8 -72.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -54.82 143.91 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -111.84 -21.05 11.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.468 ' CD ' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -107.18 34.76 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.432 ' O ' ' CG1' ' A' ' 131' ' ' VAL . 7.2 tp10 -95.65 -39.87 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.728 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.6 p 42.01 48.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 131' ' ' VAL . 89.2 mt -34.42 -44.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 84.5 t -137.95 141.9 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -127.09 113.11 15.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 1.4 t -134.67 149.23 50.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 137' ' ' VAL . 54.7 mtt85 -118.24 127.28 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 136' ' ' ARG . 86.5 t -37.51 -57.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 138' ' ' ARG . 10.9 mtp-105 -40.45 -51.43 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.1 -39.9 96.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.97 110.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.0 p -79.3 -53.84 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 143' ' ' MET . 33.4 t80 -154.0 157.18 38.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.424 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.9 OUTLIER -153.1 159.27 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.55 -174.2 39.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.554 HG23 ' HG2' ' A' ' 22' ' ' GLN . 34.6 m -115.25 157.26 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.386 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -89.45 177.99 44.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 146' ' ' GLY . 55.0 mmtt -34.99 -41.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -107.05 113.96 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 150' ' ' HIS . 35.1 m -38.08 -42.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.462 ' N ' HG23 ' A' ' 149' ' ' VAL . 60.7 m80 -40.82 -46.65 2.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 81.7 p -78.52 126.34 30.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.436 ' CZ ' HG11 ' A' ' 181' ' ' VAL . 33.7 t80 -127.37 122.15 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.403 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -127.91 162.02 27.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.107 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.419 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 9.3 p90 -153.57 143.44 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 74.9 mt -96.27 130.99 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . 0.595 ' SD ' HG23 ' A' ' 158' ' ' THR . 3.1 ppp? -126.04 156.21 40.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.81 138.38 32.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.595 HG23 ' SD ' ' A' ' 156' ' ' MET . 37.5 p -119.4 -39.02 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -130.04 -143.79 5.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -71.34 -67.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 17.51 16.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -89.38 138.52 31.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -136.93 121.85 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.432 ' OE2' ' CE1' ' A' ' 166' ' ' HIS . 14.6 tt0 -108.72 147.54 31.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.0 t -121.14 127.78 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.432 ' CE1' ' OE2' ' A' ' 164' ' ' GLU . 98.2 m-70 -116.27 110.66 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.417 HG21 ' HA ' ' A' ' 96' ' ' ILE . 11.9 t -88.02 154.25 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -150.65 162.04 41.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 40.3 t-105 -114.79 140.65 48.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 75.1 m -121.29 155.29 35.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 85.3 mt-10 -142.23 130.19 11.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.1 Cg_endo -69.7 -48.56 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.368 -0.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -123.15 161.19 24.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -85.31 37.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.685 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -87.15 -31.39 20.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -84.16 -30.47 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.411 ' O ' HG12 ' A' ' 181' ' ' VAL . 76.3 t -82.17 -48.13 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 26.7 m -56.68 -38.91 72.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.49 -30.25 64.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . . . -70.94 -53.35 15.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.436 HG11 ' CZ ' ' A' ' 152' ' ' PHE . 5.2 p -63.47 -32.25 55.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.83 -46.44 75.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -56.16 -38.3 70.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 t -94.94 137.19 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.379 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -158.47 148.47 19.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.82 57.0 0.12 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p -68.05 138.32 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.831 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -127.01 114.74 18.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.34 67.34 2.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -78.31 114.69 17.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' ASP . . . -36.92 -64.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.52 129.33 44.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.43 134.59 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.1 p -62.31 150.58 84.49 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.537 0.684 . . . . 0.0 111.139 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -11.02 29.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.3 -33.44 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -73.07 -64.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -40.77 -39.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -67.66 -43.0 81.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 173' ' ' ASN . 18.5 mt -59.83 -57.67 11.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' LEU . 43.4 m -37.88 -44.17 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -48.08 -58.25 4.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.0 mmt -45.4 -38.66 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' HG2' HG23 ' A' ' 145' ' ' VAL . 82.9 mt-30 -72.67 -39.12 67.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -53.69 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -125.85 -45.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.41 -157.25 15.2 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -139.98 105.49 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 0.0 110.937 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -92.42 153.4 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . 58.6 t-20 -96.82 110.16 52.18 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 53.9 Cg_endo -69.76 -42.29 3.53 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.652 2.235 . . . . 0.0 112.364 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.5 m -46.69 -57.48 4.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -47.52 -55.84 8.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -46.84 -57.64 4.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -51.34 -51.3 55.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -55.72 -43.65 76.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.75 48.84 1.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -45.13 143.92 1.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.36 -34.47 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -69.01 121.83 17.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.408 ' O ' ' CG ' ' A' ' 39' ' ' ASN . 0.7 OUTLIER -83.84 87.77 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.2 p -53.66 157.02 2.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.66 75.71 0.46 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 87.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.325 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -100.75 41.95 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 m -125.71 163.2 23.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.401 ' C ' HG13 ' A' ' 46' ' ' ILE . . . -164.16 -81.3 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.401 HG13 ' C ' ' A' ' 45' ' ' GLY . 75.3 mt -147.42 111.53 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.148 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -141.75 152.72 44.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.35 -141.26 2.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -95.36 153.84 17.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.64 128.86 3.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 80.9 p -155.09 -179.85 8.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.883 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.2 m -151.04 163.41 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.39 158.3 15.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 t -166.93 164.87 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.893 0.378 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -158.34 156.02 29.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.74 -173.91 13.14 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.7 m -133.82 132.24 40.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.3 m -114.49 150.17 35.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.49 -155.33 13.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.3 p -164.39 150.82 10.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -135.73 131.68 35.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.62 114.15 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 122.94 9.61 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.7 p -66.74 145.83 98.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.551 0.691 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 170.66 16.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.34 32.73 5.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 67' ' ' THR . 12.6 t -55.39 120.12 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.6 1.33 46.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.8 143.81 52.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 116' ' ' ALA . 2.5 p -165.04 145.7 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -112.02 134.43 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -120.37 122.65 41.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -116.64 150.82 37.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.67 114.22 27.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.15 -178.33 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.471 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 46.8 mt-30 -113.04 163.61 14.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -122.21 102.95 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.633 HD13 HG12 ' A' ' 167' ' ' VAL . 6.5 mp -68.42 -38.61 81.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 139.17 -179.58 18.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.562 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 6.0 ttp -94.42 124.54 38.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.531 HD13 ' N ' ' A' ' 82' ' ' PRO . 0.9 OUTLIER -125.92 120.12 24.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.916 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.81 142.74 48.49 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.337 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.4 m -117.37 161.82 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -85.01 -34.55 22.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -124.04 150.62 63.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -18.88 36.75 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.605 HG12 ' CB ' ' A' ' 142' ' ' PHE . 33.6 m -142.98 170.05 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.89 128.92 3.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.4 mmt -60.29 -57.84 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.776 0.322 . . . . 0.0 110.816 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.21 -53.23 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.2 m -51.47 -44.2 62.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.44 -52.1 67.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.42 -47.37 81.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -39.54 -49.1 2.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 98' ' ' ASN . . . -62.14 -58.22 8.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -42.41 -45.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 101' ' ' THR . 45.4 mt-10 -71.38 -30.37 66.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' ALA . 10.9 t-20 -65.84 -44.01 86.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 81' ' ' LEU . 19.3 mt -82.23 -33.96 29.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.966 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.402 ' CE ' HG21 ' A' ' 151' ' ' THR . 4.4 mmt -55.54 -47.54 76.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 97' ' ' GLU . 9.8 t -75.78 -23.65 55.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.3 m -65.25 -53.75 39.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 p -124.18 -177.95 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 75.4 m -100.87 166.79 10.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.471 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 33.7 tttm -59.36 -42.9 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -71.5 -42.9 67.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -44.47 -34.86 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 10.5 m0 -59.18 121.01 52.58 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.471 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.8 Cg_endo -69.7 130.56 19.62 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.2 p -60.51 120.23 9.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 109' ' ' PRO . 20.8 m -128.25 168.97 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -122.87 136.05 54.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 37.3 ttm -89.39 100.08 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 35.0 t-20 -86.14 96.5 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.4 t -100.13 105.46 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.525 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.48 140.51 25.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.5 t0 54.58 43.02 30.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.414 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 54.76 40.28 31.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.465 HG23 ' HG2' ' A' ' 136' ' ' ARG . 49.7 m -134.7 119.08 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 135' ' ' CYS . 77.6 t -91.25 106.84 18.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.9 m -120.78 124.48 45.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 76.3 t -89.62 98.67 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 14.1 mm -94.32 137.11 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.8 t -53.52 158.92 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -77.42 -47.81 18.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.6 mtpt -95.4 28.98 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -163.72 166.24 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 13.6 tt0 -129.13 -34.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.86 31.03 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.436 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 4.9 tp10 -96.65 -41.04 8.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.703 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.1 p 38.0 47.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 131' ' ' VAL . 80.4 mt -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 77.0 t -137.79 134.98 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.62 106.75 12.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' VAL . 42.1 t -123.55 139.89 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.465 ' HG2' HG23 ' A' ' 119' ' ' THR . 40.0 mtm180 -116.8 125.21 51.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 99.3 t -39.73 -51.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -42.04 -41.88 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -78.32 -35.74 47.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.425 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 5.7 tt -45.54 115.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.4 p -85.96 -51.12 6.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.605 ' CB ' HG12 ' A' ' 87' ' ' VAL . 12.9 t80 -151.35 142.63 23.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.499 ' HE1' HG22 ' A' ' 181' ' ' VAL . 3.2 ptt? -138.4 144.11 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -161.89 -157.75 9.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.403 HG23 ' HG2' ' A' ' 22' ' ' GLN . 27.1 m -126.88 176.31 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 111.105 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -112.71 -169.24 17.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.6 mtpp -35.0 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.58 120.9 41.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.436 ' HB ' HD22 ' A' ' 18' ' ' LEU . 27.6 m -44.17 -27.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -53.43 -43.55 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.402 HG21 ' CE ' ' A' ' 100' ' ' MET . 58.4 p -80.09 124.43 28.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.4 115.14 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.402 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -125.86 152.56 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.069 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.89 144.3 37.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.543 HD12 ' HD2' ' A' ' 142' ' ' PHE . 65.7 mt -98.59 115.87 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.088 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . 0.406 ' SD ' ' C ' ' A' ' 157' ' ' ASP . 0.2 OUTLIER -118.96 171.71 8.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.406 ' C ' ' SD ' ' A' ' 156' ' ' MET . 0.5 OUTLIER -114.02 120.25 39.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.83 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.7 p -85.52 -50.96 6.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -102.89 -126.06 5.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -89.34 -65.12 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.531 ' O ' ' CZ ' ' A' ' 163' ' ' PHE . 7.5 mm-40 -109.55 0.19 19.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.99 134.21 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.531 ' CZ ' ' O ' ' A' ' 161' ' ' GLN . 2.4 m-85 -130.8 117.27 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -109.5 154.65 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 49.8 t -119.61 120.77 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.562 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.5 m-70 -105.41 120.07 40.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.633 HG12 HD13 ' A' ' 78' ' ' LEU . 45.9 t -96.66 137.63 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 82.6 m-85 -141.18 127.97 20.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -83.98 130.32 34.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.647 ' SG ' HG21 ' A' ' 177' ' ' VAL . 71.4 m -110.66 157.51 19.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 9.2 mm-40 -144.12 130.17 9.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.614 0.721 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.72 -48.76 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.306 -0.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.492 ' HB2' HD11 ' A' ' 18' ' ' LEU . 45.1 p30 -119.06 173.79 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.47 35.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -77.17 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -58.34 -43.27 88.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.647 HG21 ' SG ' ' A' ' 170' ' ' CYS . 59.0 t -62.49 -61.41 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 58.1 m -55.55 -26.98 46.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -77.36 -48.71 16.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -54.92 -53.98 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.499 HG22 ' HE1' ' A' ' 143' ' ' MET . 7.6 p -55.94 -44.62 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.466 ' N ' HG13 ' A' ' 181' ' ' VAL . 35.3 mt-30 -51.04 -50.69 58.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -56.17 -38.12 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 181' ' ' VAL . . . -52.62 -46.91 67.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 68.7 m . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m -79.79 152.16 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -158.02 112.56 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.76 148.35 19.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -81.37 95.18 6.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.899 0.38 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 p -77.89 129.77 35.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.01 43.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -55.07 150.26 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.35 -64.86 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.88 145.74 25.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.4 p -85.15 144.19 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 p -83.54 151.14 61.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.571 0.701 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.24 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -96.4 -28.48 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -74.06 -41.89 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -42.62 -40.78 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -74.68 -41.98 59.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 175' ' ' ALA . 15.1 mt -62.62 -32.96 74.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -52.98 -56.23 17.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -47.16 -48.92 23.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 mtt -53.99 -35.39 61.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -75.86 -41.8 51.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -52.99 -64.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -124.52 -47.13 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.71 -166.13 12.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -123.38 106.74 10.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.938 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -95.05 148.41 22.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -94.46 117.19 67.03 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -41.02 4.61 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.248 . . . . 0.0 112.339 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.3 m -49.99 -47.01 53.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 40.6 t80 -55.58 -66.97 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' PHE . 16.8 ttmt -51.68 -58.85 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 32' ' ' LYS . 4.7 t80 -35.06 -49.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -54.98 -51.05 67.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' OE2' ' CD2' ' A' ' 31' ' ' TYR . 1.3 mp0 -55.83 -58.1 9.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 37' ' ' MET . 14.4 mm-40 -85.05 43.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 36' ' ' GLN . 1.3 ttm -34.06 111.79 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -99.39 151.18 21.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -75.07 179.79 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -134.5 -54.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.51 146.78 18.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.518 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 89.93 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.3 t -102.52 126.28 49.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.2 p -105.71 -55.78 2.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.01 -159.48 28.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.69 HD12 ' N ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -108.7 122.83 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 111.131 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.69 ' N ' HD12 ' A' ' 46' ' ' ILE . 6.0 tp10 -50.42 145.83 5.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.15 -163.02 42.89 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' NE ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -145.62 168.1 21.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.8 73.2 1.05 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 t -171.23 126.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.4 t -156.02 123.44 5.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.76 71.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 82.4 p -160.53 120.0 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.373 . . . . 0.0 110.863 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 p -93.36 -4.52 51.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.82 126.23 0.46 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.9 t -123.56 83.78 2.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.6 p -148.72 159.27 44.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.45 -151.94 5.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.6 t -162.66 136.11 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.925 0.393 . . . . 0.0 110.817 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.6 m -134.91 113.55 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.08 75.84 0.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.48 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.712 2.275 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.2 p -73.07 142.73 82.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.592 0.711 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.74 43.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.224 . . . . 0.0 112.344 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -91.45 138.48 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 p -84.38 147.75 26.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -101.01 -5.16 26.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 69' ' ' LEU . 1.9 pt? -113.08 173.07 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.829 HG13 ' HB2' ' A' ' 116' ' ' ALA . 48.6 t -155.2 135.41 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -100.58 128.51 46.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -123.98 116.59 23.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.07 155.37 25.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -98.59 126.41 44.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.3 m -154.04 173.7 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 37.7 mt-30 -109.45 153.81 23.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -111.63 101.99 10.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.48 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.2 mp -65.24 -43.1 92.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.489 ' O ' HD11 ' A' ' 99' ' ' LEU . . . 142.83 174.44 15.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.525 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 15.1 ttp -93.14 130.24 38.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.526 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.4 OUTLIER -126.7 121.26 23.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.597 0.713 . . . . 0.0 110.907 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.526 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.3 Cg_endo -69.73 134.79 28.91 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.35 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 m -111.65 164.22 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.57 -23.24 14.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -120.5 144.09 37.62 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.619 0.723 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.403 ' HB3' ' CE2' ' A' ' 163' ' ' PHE . 54.0 Cg_endo -69.68 -24.77 29.65 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -142.51 177.53 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.78 145.95 10.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.459 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -78.29 -57.25 3.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.51 -21.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.7 m -88.69 -48.52 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 92' ' ' LEU . 9.2 tt -63.36 -44.58 94.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -61.58 -55.49 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.1 t -40.57 -45.27 2.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.1 -50.93 67.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' A' ' 167' ' ' VAL . 90.0 mt -46.54 -62.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -51.28 -43.88 61.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -48.48 -52.17 23.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.489 HD11 ' O ' ' A' ' 79' ' ' GLY . 87.8 mt -70.5 -40.72 73.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.3 mtt -51.78 -45.66 63.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -19.56 50.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.2 t -71.46 -45.45 62.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -135.52 178.02 7.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.432 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 1.2 m -98.53 166.07 11.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.827 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.1 tttm -59.9 -30.37 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -78.42 -37.05 44.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.03 -33.47 64.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.487 ' CD2' ' HA ' ' A' ' 105' ' ' LYS . 5.3 m0 -63.93 117.22 33.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.526 0.679 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.501 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.6 Cg_endo -69.73 126.34 13.21 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.4 m -62.73 111.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 109' ' ' PRO . 5.8 m -112.63 -176.69 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -131.07 138.76 49.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 21.3 ttm -93.3 110.24 21.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 114' ' ' ASN . 28.5 t-20 -93.88 97.17 10.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 79.0 t -99.38 101.03 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.829 ' HB2' HG13 ' A' ' 70' ' ' VAL . . . -149.19 142.92 25.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.8 t0 52.01 38.4 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.411 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 55.94 40.2 30.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 16.9 m -131.77 117.6 18.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.73 107.71 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.449 ' CG2' HG23 ' A' ' 131' ' ' VAL . 38.6 m -124.53 125.15 43.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.185 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.4 t -89.68 101.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.3 mm -96.6 139.44 19.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.7 t -58.83 153.78 16.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -70.44 -48.98 53.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 19.0 pttm -79.31 -50.5 10.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 50.2 m-20 -88.3 146.85 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -105.18 -32.34 8.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.15 40.91 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -100.24 -33.2 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.629 ' O ' HG22 ' A' ' 131' ' ' VAL . 10.9 p 34.13 48.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 131' ' ' VAL . 88.1 mt -34.51 -41.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 74.2 t -143.68 138.93 25.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -122.61 110.58 15.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.7 t -127.47 152.29 47.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.6 mtt-85 -128.29 128.79 45.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 118' ' ' ALA . 84.9 t -40.34 -46.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.9 mmp_? -50.71 -41.22 55.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.421 ' CD1' ' OD2' ' A' ' 157' ' ' ASP . 8.9 m-85 -76.68 -36.54 57.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' A' ' 143' ' ' MET . 4.1 tt -45.36 100.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.4 p -72.28 -46.18 56.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -154.67 155.55 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.735 ' HB3' HD21 ' A' ' 140' ' ' LEU . 1.8 ptt? -151.19 155.08 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -170.14 -168.81 32.52 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.48 165.13 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 111.125 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -95.44 178.06 35.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.495 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 146' ' ' GLY . 16.8 ptmt -36.71 -36.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.19 120.73 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 14.5 m -45.61 -30.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 70.3 m80 -52.84 -38.65 61.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.442 ' CG2' ' CZ3' ' A' ' 169' ' ' TRP . 54.9 p -86.64 134.62 33.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -136.12 115.82 12.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -121.78 159.26 27.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.421 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 6.6 p90 -147.31 145.59 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 91.0 mt -101.03 133.55 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . 0.504 ' SD ' HG22 ' A' ' 158' ' ' THR . 2.2 ppp? -130.79 164.48 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.421 ' OD2' ' CD1' ' A' ' 139' ' ' PHE . 5.2 p-10 -105.74 123.07 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.504 HG22 ' SD ' ' A' ' 156' ' ' MET . 6.2 p -96.45 -54.99 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -107.84 -133.93 7.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.456 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -73.67 -68.72 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.483 ' O ' ' CE2' ' A' ' 163' ' ' PHE . 5.5 mp0 -114.96 2.55 14.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -70.7 137.05 49.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.483 ' CE2' ' O ' ' A' ' 161' ' ' GLN . 9.6 m-85 -137.82 134.75 35.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -120.01 150.12 41.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 3.1 t -117.46 109.99 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.525 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 96.8 m-70 -96.79 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.52 HG21 ' HA ' ' A' ' 96' ' ' ILE . 10.6 t -96.82 136.16 28.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.444 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 54.5 m-85 -136.22 153.87 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.442 ' CZ3' ' CG2' ' A' ' 151' ' ' THR . 29.6 t-105 -103.4 129.61 50.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 177' ' ' VAL . 83.7 m -114.93 152.07 32.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.557 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 29.1 mt-10 -142.72 139.63 17.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -47.61 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.348 0.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -121.91 161.58 22.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -82.48 18.85 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -69.9 -46.35 65.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.07 -43.47 71.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.626 HG21 ' SG ' ' A' ' 170' ' ' CYS . 69.2 t -67.2 -61.02 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.0 p -54.88 -17.28 3.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -86.13 -46.43 10.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.69 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -80.4 -36.81 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -60.45 -46.09 91.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.07 -41.71 83.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -55.09 -46.87 75.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t 37.95 42.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 p -92.25 157.09 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.23 -179.56 18.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -46.17 137.31 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.2 p -135.75 163.35 30.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.13 138.23 6.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -169.9 176.02 4.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.66 -53.58 17.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 128.48 36.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.3 p -47.63 140.8 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -75.62 151.63 84.98 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.565 0.698 . . . . 0.0 111.18 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -9.97 27.37 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.252 . . . . 0.0 112.326 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -95.42 -45.02 7.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -56.12 -41.5 75.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -40.58 -56.92 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -62.01 -42.68 99.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -55.1 -45.02 75.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.6 t -52.06 -39.16 59.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -54.36 -54.72 36.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.5 mmt -45.02 -37.66 4.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -79.78 -41.17 27.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -50.77 -58.13 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -130.02 -45.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.31 -167.8 12.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.422 ' CD2' ' NE2' ' A' ' 182' ' ' GLN . 26.0 t80 -134.88 114.76 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.952 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -103.22 155.14 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 29' ' ' PRO . 52.4 t-20 -90.91 113.28 57.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 54.5 Cg_endo -69.72 -49.57 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.678 2.252 . . . . 0.0 112.366 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.0 m -50.45 -39.84 48.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -60.67 -50.64 72.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -12.23 60.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 34' ' ' PHE . 6.2 t80 -75.33 136.25 40.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.471 ' C ' ' O ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER 32.94 51.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 36' ' ' GLN . 11.4 pt-20 -79.43 -40.85 28.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 18.2 tt0 -54.58 155.7 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -131.5 172.7 11.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -98.81 125.45 44.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -101.06 119.09 38.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -54.33 -53.57 52.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.59 68.11 0.73 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.41 33.51 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -109.32 132.41 54.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 m -118.0 170.91 8.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.83 108.25 2.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.0 mt -137.09 130.79 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -95.72 127.32 41.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.68 -68.1 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -95.09 166.83 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -178.69 101.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.3 p -141.46 135.6 30.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -157.83 124.71 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.86 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -158.26 123.69 1.3 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m -166.03 114.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.827 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -126.04 144.84 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -167.44 122.84 1.07 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.545 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 m -131.55 137.84 48.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.3 p -118.89 -52.23 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.34 50.65 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.2 t -56.22 161.53 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.3 p -142.98 121.9 12.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -89.78 174.62 41.21 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 122.48 9.14 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 9.0 m -86.96 136.53 34.01 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.581 0.705 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 53.7 Cg_endo -69.79 164.16 35.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -136.35 116.12 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.792 HG22 ' H ' ' A' ' 69' ' ' LEU . 11.0 m -130.79 144.14 51.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -103.96 11.85 34.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.792 ' H ' HG22 ' A' ' 67' ' ' THR . 21.4 mt -118.59 157.29 27.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.588 HG23 ' HB2' ' A' ' 116' ' ' ALA . 4.3 p -174.97 140.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -104.93 126.19 51.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -116.96 120.85 39.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.24 159.74 20.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -102.09 121.42 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.0 m -154.58 173.79 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -111.63 160.3 17.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.404 ' CD1' ' CE1' ' A' ' 168' ' ' PHE . 14.3 t80 -120.03 103.62 9.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mp -65.43 -49.62 68.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.69 167.29 14.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.561 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 14.4 ttp -78.38 124.91 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.56 HD23 ' CD2' ' A' ' 99' ' ' LEU . 0.4 OUTLIER -127.5 117.27 21.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.658 0.742 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.409 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.78 149.87 67.31 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.4 m -127.7 158.58 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -80.09 -36.77 34.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -119.81 149.85 49.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.71 37.52 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.63 HG12 ' CB ' ' A' ' 142' ' ' PHE . 18.5 m -145.41 173.86 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 114.88 117.36 3.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.6 mmt -56.08 -55.46 32.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.2 -35.13 3.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -77.16 -50.61 12.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 153' ' ' ALA . 6.6 tt -57.42 -53.78 54.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.407 ' HA ' HD12 ' A' ' 96' ' ' ILE . 6.4 m-80 -55.72 -35.34 66.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -65.56 -45.99 81.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.808 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.37 -36.55 75.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.5 ' HA ' HG21 ' A' ' 167' ' ' VAL . 90.5 mt -55.9 -53.36 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -60.71 -42.37 97.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -45.98 -36.42 5.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.56 ' CD2' HD23 ' A' ' 81' ' ' LEU . 32.2 mt -86.85 -48.49 8.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.67 -34.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.0 t -87.02 -39.91 15.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 54.9 p -58.73 -34.06 70.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.5 m -140.75 154.89 46.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.455 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 40.4 m -84.44 159.59 20.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.546 ' HA ' ' CH2' ' A' ' 108' ' ' TRP . 79.4 tttt -49.83 -45.21 49.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -71.89 -44.84 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.92 -39.76 1.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.546 ' CH2' ' HA ' ' A' ' 105' ' ' LYS . 2.8 m0 -58.77 119.96 41.72 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.553 0.692 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 126.77 13.72 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.726 2.284 . . . . 0.0 112.366 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.1 m -59.79 117.26 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.1 m -119.38 178.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -131.23 141.21 49.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 25.0 tpp -93.99 107.65 19.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -94.55 98.38 10.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 84.7 t -103.73 110.71 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.588 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -152.37 133.93 14.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.5 t0 56.07 44.02 26.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.406 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 56.68 42.11 27.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 58.6 m -134.44 113.97 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 94.6 t -92.01 102.41 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.548 ' CG2' HG23 ' A' ' 131' ' ' VAL . 28.8 m -117.6 119.72 35.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.5 t -82.9 97.82 4.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 131' ' ' VAL . 13.2 mm -93.52 133.32 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -58.52 147.73 30.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.1 -55.17 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -69.78 -63.3 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -78.52 138.38 38.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -97.66 -35.14 10.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.07 41.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 131' ' ' VAL . 4.2 tp10 -99.55 -32.48 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.679 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.7 p 35.31 48.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' VAL . 71.5 mt -35.55 -44.38 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.6 t -137.89 140.51 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -125.75 109.21 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 42.5 t -128.27 150.62 49.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 137' ' ' VAL . 50.4 mtt85 -125.83 121.63 33.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.682 HG11 ' HA ' ' A' ' 185' ' ' CYS . 57.9 t -34.43 -46.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -46.36 -49.38 17.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -71.14 -36.88 72.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.7 tt -39.12 118.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 77.6 p -88.41 -50.66 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.63 ' CB ' HG12 ' A' ' 87' ' ' VAL . 35.2 t80 -151.75 155.82 39.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 3.5 ptp -145.76 144.88 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -167.53 171.87 42.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 20.3 m -107.32 157.24 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.451 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -89.22 -177.95 45.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.6 OUTLIER -35.92 -44.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.67 119.13 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.04 -23.38 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -60.02 -40.42 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 45.6 p -80.88 129.32 34.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -135.54 114.46 12.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.581 ' HB2' ' HA ' ' A' ' 167' ' ' VAL . . . -125.46 167.98 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -150.79 140.03 21.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 96.6 mt -96.25 121.04 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 8.9 ptm -118.8 167.27 11.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -106.15 105.51 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p -82.52 -55.73 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -100.29 -143.21 13.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -69.7 -70.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.43 ' O ' ' CZ ' ' A' ' 163' ' ' PHE . 15.9 mp0 -116.41 14.88 15.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.448 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.4 mpt_? -75.96 148.19 38.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.28 124.84 20.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -116.83 147.1 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 51.8 t -115.05 106.48 14.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.1 m-70 -97.0 107.6 20.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.581 ' HA ' ' HB2' ' A' ' 153' ' ' ALA . 11.6 t -89.16 148.29 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 84.0 m-85 -148.85 136.29 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.4 t-105 -89.06 139.65 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.7 ' SG ' HG21 ' A' ' 177' ' ' VAL . 69.8 m -121.62 161.68 22.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 18.4 mt-10 -149.77 131.73 7.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.655 0.74 . . . . 0.0 110.934 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.9 Cg_endo -69.77 -49.43 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.366 0.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -120.5 172.21 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.55 40.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -83.92 -56.72 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -61.55 -39.99 93.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.7 HG21 ' SG ' ' A' ' 170' ' ' CYS . 93.1 t -63.93 -59.9 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.9 m -55.8 -42.41 75.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -62.94 -50.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.54 -60.14 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 182' ' ' GLN . 6.2 p -53.98 -42.56 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.422 ' NE2' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -47.11 -44.72 21.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -58.82 -46.84 86.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -51.66 -44.61 63.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . 0.682 ' HA ' HG11 ' A' ' 137' ' ' VAL . 73.8 m . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 t -52.27 -61.35 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 m -78.35 142.59 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.01 63.46 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 t -69.29 144.66 53.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 p -88.41 -45.9 9.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.25 67.24 1.82 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -135.06 160.33 38.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.2 -64.12 1.04 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.4 158.13 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.2 p -98.9 150.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -79.37 152.74 76.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 111.176 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.26 11.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.692 ' OE1' ' HB1' ' A' ' 175' ' ' ALA . 29.7 mm-40 -95.62 -57.66 2.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ARG . 16.1 mt-10 -47.21 -55.93 7.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 15' ' ' GLU . 37.5 mtp180 -36.18 -53.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -61.69 -45.75 92.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.656 HD13 HG11 ' A' ' 149' ' ' VAL . 59.2 mt -61.16 -63.19 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' LEU . 16.2 p -35.87 -41.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -61.33 -49.06 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.2 mmt -50.18 -21.77 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -95.93 -33.57 12.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.17 -73.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' ND2' ' N ' ' A' ' 24' ' ' ASN . 0.7 OUTLIER -106.77 -37.55 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.34 -174.24 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -117.65 96.69 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -89.71 142.72 27.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -80.89 118.25 71.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.731 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -27.21 26.78 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.653 2.235 . . . . 0.0 112.308 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 98.3 m -77.31 -59.88 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -45.03 -45.56 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -67.62 -28.16 67.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.09 -48.42 76.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.44 75.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -114.06 -31.42 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -50.38 162.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.8 mmt -66.37 117.23 8.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -55.19 126.01 23.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -89.99 88.87 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.6 m -165.97 116.41 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.97 128.43 3.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.445 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 43' ' ' SER . 53.3 Cg_endo -69.81 -5.77 17.04 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 42' ' ' PRO . 67.4 m -35.05 -42.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -125.75 111.52 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.6 62.8 0.63 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.46 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.6 pp -148.26 146.11 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.37 84.95 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.32 -173.46 36.24 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -42.6 -30.96 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.68 -149.61 25.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.8 p -172.3 176.38 3.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.2 p -102.09 171.69 7.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -149.26 -168.68 15.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 t -173.05 152.28 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -119.59 -53.04 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.23 -135.26 8.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.5 p -111.44 165.43 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.6 p -120.22 -53.83 2.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.68 -158.17 22.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.2 m -70.16 142.94 52.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 t -99.8 48.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.56 164.47 0.42 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 135.02 29.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.636 2.224 . . . . 0.0 112.349 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.22 131.3 21.61 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.565 0.698 . . . . 0.0 111.106 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 134.06 27.08 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -145.57 144.43 30.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.2 p -52.84 171.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -103.48 -3.7 25.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.69 146.82 51.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.617 HG23 ' HB2' ' A' ' 116' ' ' ALA . 3.0 p -171.11 142.97 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.49 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 27.2 mt-30 -116.03 147.44 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -129.93 119.31 23.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 26.6 m-85 -119.27 158.43 26.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -99.2 121.24 40.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.6 m -147.73 177.55 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -117.44 154.56 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.442 ' CD1' ' CE2' ' A' ' 168' ' ' PHE . 11.0 t80 -110.32 107.03 16.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.489 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.3 mp -70.42 -37.66 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.62 -172.05 22.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.574 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 9.1 tmm? -104.96 129.76 53.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.685 HD13 ' N ' ' A' ' 82' ' ' PRO . 1.4 tm? -126.55 123.67 24.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.58 0.705 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.685 ' N ' HD13 ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.78 137.58 35.74 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 m -119.34 178.64 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -113.49 -24.19 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.6 mtt-85 -119.53 144.63 37.17 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -21.97 33.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.609 HG12 ' CB ' ' A' ' 142' ' ' PHE . 23.2 m -144.83 176.97 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.81 139.49 5.92 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.454 ' CE ' ' HA ' ' A' ' 89' ' ' MET . 0.0 OUTLIER -72.68 -53.75 10.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 110.847 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -55.95 -44.39 78.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.3 m -60.5 -55.77 29.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 92' ' ' LEU . 5.6 tt -57.5 -50.28 73.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' N ' HD23 ' A' ' 92' ' ' LEU . 67.6 m-20 -62.32 -36.94 83.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.6 t -51.93 -37.11 51.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -70.71 -46.91 62.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.049 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.508 ' HA ' HG21 ' A' ' 167' ' ' VAL . 91.7 mt -40.67 -58.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -58.84 -47.14 85.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.585 ' O ' HG22 ' A' ' 101' ' ' THR . 10.3 t-20 -47.31 -47.71 25.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 81' ' ' LEU . 58.7 mt -74.91 -48.54 24.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 7.0 mtt -44.0 -39.27 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 98' ' ' ASN . 14.6 t -80.49 -25.0 39.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.19 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' LEU . 32.5 t -69.24 -39.48 78.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 m -135.1 160.43 38.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.485 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 2.2 t -79.6 173.28 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -71.94 -12.83 61.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -95.82 -37.81 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.39 -24.89 13.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.489 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 8.8 m0 -71.24 116.11 43.62 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.581 0.705 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 131.95 22.39 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.733 2.289 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 66.4 m -66.98 104.33 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.0 m -107.29 167.26 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -115.97 131.18 57.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 22.5 tpp -87.39 113.33 23.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.423 ' OD1' ' CG2' ' A' ' 70' ' ' VAL . 16.8 t-20 -98.96 98.28 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.78 99.04 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.617 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -139.25 132.31 29.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 t70 55.2 37.45 28.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.766 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 64.03 36.39 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 136' ' ' ARG . 50.3 m -126.59 114.78 18.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 58.3 t -91.99 96.4 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.1 m -109.56 110.88 22.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 93.4 t -77.46 91.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.15 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.7 mm -88.35 142.13 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 38.9 t -62.73 160.39 14.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -84.38 -28.09 27.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -98.49 4.58 48.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -148.43 163.64 36.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -123.94 -13.35 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.45 16.03 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' VAL . 10.9 tp10 -77.5 -31.09 53.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.712 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.4 p 34.1 47.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' VAL . 75.5 mt -35.55 -43.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 67.6 t -142.29 135.04 27.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -115.31 99.71 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -114.43 149.11 36.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.593 ' HG2' HG23 ' A' ' 119' ' ' THR . 25.6 mtp180 -136.42 147.45 47.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 118' ' ' ALA . 5.4 t -72.24 -2.14 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -75.23 -35.31 61.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 136' ' ' ARG . 34.4 p90 -120.49 23.64 10.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 143' ' ' MET . 8.6 tt -78.71 85.23 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.6 p -39.3 -70.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.609 ' CB ' HG12 ' A' ' 87' ' ' VAL . 12.0 t80 -151.03 152.27 33.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.56 ' HB3' HD21 ' A' ' 140' ' ' LEU . 2.6 ptt? -134.66 149.8 50.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.8 167.72 40.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 2.1 m -101.77 165.37 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.11 -173.47 40.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -39.99 -37.67 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -110.85 127.15 55.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.656 HG11 HD13 ' A' ' 18' ' ' LEU . 22.6 m -49.39 -19.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.517 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 26.0 m80 -63.84 -37.68 88.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.4 p -83.92 127.36 33.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -133.47 115.21 14.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -125.2 173.7 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.5 p90 -164.17 145.06 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 164' ' ' GLU . 66.3 mt -99.74 138.7 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.8 ptm -149.07 156.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.14 136.6 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 31.8 p -124.02 18.68 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 106.82 148.6 15.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.44 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 162' ' ' ARG . 35.4 m-20 65.01 50.05 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 161' ' ' GLN . 0.3 OUTLIER 35.17 31.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 160' ' ' ASN . 17.0 mmt180 -92.96 150.93 20.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -126.91 122.89 35.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 155' ' ' ILE . 15.3 mm-40 -107.13 169.35 8.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.85 100.12 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 97.7 m-70 -93.93 124.88 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 96' ' ' ILE . 15.2 t -105.98 154.68 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.452 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 89.3 m-85 -155.14 143.58 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.517 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 30.3 t-105 -99.76 130.78 46.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 60.4 m -114.03 163.04 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.544 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 61.6 mt-10 -150.7 136.95 10.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.76 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.321 0.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -125.52 159.41 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -83.25 36.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.692 ' HB1' ' OE1' ' A' ' 14' ' ' GLU . . . -82.81 -44.97 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -74.08 -46.12 45.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 79.8 t -54.11 -60.8 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.8 p -51.92 -39.28 58.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -60.4 -44.48 95.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.2 -51.21 68.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.02 -37.36 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -61.06 -49.04 78.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -60.89 -27.08 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -64.8 -40.15 94.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -157.72 106.37 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -146.84 147.47 30.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.56 -150.8 17.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p 42.14 43.3 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -43.16 -59.88 1.88 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 88.89 67.51 1.26 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 62.7 m-20 -164.56 149.82 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.65 -68.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.75 118.29 26.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -81.12 148.73 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 p -64.41 150.68 92.82 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.547 0.689 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.9 27.23 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -89.68 -38.96 13.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -71.46 -50.9 27.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -59.84 -15.02 17.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -88.45 -40.08 13.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 175' ' ' ALA . 29.0 mt -77.25 -42.16 38.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.9 m -39.9 -55.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -53.96 -53.24 55.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.5 mmt -47.69 -22.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.482 ' CD ' HG23 ' A' ' 145' ' ' VAL . 13.4 mm-40 -95.96 -38.46 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -54.34 -64.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -124.09 -40.73 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.95 -154.24 16.47 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 182' ' ' GLN . 33.1 t80 -140.22 107.33 5.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -89.31 149.58 22.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 140' ' ' LEU . 49.9 t-20 -91.07 113.71 59.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -48.95 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.457 HG21 ' HE ' ' A' ' 138' ' ' ARG . 63.5 m -42.57 -43.64 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.49 -55.77 10.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -50.7 -33.53 23.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -38.71 -66.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.98 48.73 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 2.1 pp20? -77.24 47.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -111.61 100.97 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 mtm -117.6 88.31 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -172.09 146.05 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -91.35 120.7 32.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -129.32 167.54 17.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.45 88.86 0.18 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 135.06 29.62 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 t -110.86 178.82 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.9 t -169.1 173.58 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.09 155.08 26.27 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.8 pt -138.85 138.77 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 111.11 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -107.53 157.58 17.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.25 129.2 3.39 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -51.19 102.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.13 -177.73 26.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.6 m -152.6 172.38 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 t -173.84 143.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.89 169.98 19.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 87.5 p -160.63 156.15 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t -161.23 167.93 25.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.58 159.63 10.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.5 m -153.48 122.64 6.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -117.89 90.68 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.25 173.11 51.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.7 p -164.72 173.73 11.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.891 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 m -95.59 158.53 15.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.43 160.92 28.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 166.65 26.88 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.37 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.641 HG23 ' HD2' ' A' ' 65' ' ' PRO . 88.1 m -108.89 138.62 20.38 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.723 . . . . 0.0 111.144 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.641 ' HD2' HG23 ' A' ' 64' ' ' THR . 54.0 Cg_endo -69.76 -173.08 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.737 2.292 . . . . 0.0 112.329 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 167.05 13.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.0 t -99.5 138.9 35.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -111.12 111.58 22.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.7 mp -51.15 179.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG21 ' OD1' ' A' ' 114' ' ' ASN . 2.2 p -117.09 149.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -114.69 126.3 54.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -120.71 161.72 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.49 120.31 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.6 m -150.85 -176.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -121.73 160.85 23.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -110.91 111.96 23.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.8 mp -72.22 -43.66 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.03 -175.99 28.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.44 ' HG2' ' CD ' ' A' ' 164' ' ' GLU . 11.7 ttp -99.4 118.99 37.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.534 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -129.38 114.9 18.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.585 0.707 . . . . 0.0 110.967 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 81' ' ' LEU . 53.4 Cg_endo -69.77 161.51 45.66 Favored 'Trans proline' 0 N--CA 1.465 -0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 m -128.16 164.86 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -89.58 -31.22 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.72 152.5 77.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.558 0.694 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -20.4 34.72 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.635 HG12 ' CB ' ' A' ' 142' ' ' PHE . 26.3 m -139.53 176.75 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.02 125.07 4.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.85 -59.68 4.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.788 0.327 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -44.66 -36.37 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 88.7 m -73.71 -53.39 10.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -53.8 -52.0 61.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' SER . 25.7 m-20 -60.25 -47.79 84.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' ASN . 47.2 t -36.74 -45.72 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 96' ' ' ILE . . . -61.1 -56.87 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 95' ' ' ALA . 69.2 mt -36.37 -53.25 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' A' ' 97' ' ' GLU . 5.7 mp0 -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -44.61 -53.65 6.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.534 HD11 ' HB2' ' A' ' 81' ' ' LEU . 54.6 mt -69.87 -42.32 73.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.7 mmt -46.25 -51.73 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.3 t -78.25 -19.33 53.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -62.6 -48.3 80.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.2 m -136.31 179.02 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.3 m -95.85 166.69 11.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.594 ' HD2' ' CZ3' ' A' ' 108' ' ' TRP . 17.6 tptp -61.87 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -73.29 -29.15 62.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -67.09 -21.01 65.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CZ3' ' HD2' ' A' ' 105' ' ' LYS . 13.7 m0 -78.7 115.49 52.23 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.56 0.695 . . . . 0.0 110.923 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 141.98 46.63 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.9 m -70.49 131.49 44.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.61 162.83 36.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -115.72 130.19 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 27.8 tpp -85.71 106.5 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.439 ' OD1' HG21 ' A' ' 70' ' ' VAL . 30.6 t30 -95.33 97.64 9.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 98.6 t -101.22 103.5 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -140.31 141.04 35.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 t70 49.75 41.8 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' ' 137' ' ' VAL . . . 59.26 36.8 23.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 95.4 m -128.4 119.75 25.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -91.47 102.17 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -116.69 117.75 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 65.2 t -86.26 106.59 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.462 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.4 mm -99.64 143.57 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -79.36 148.68 31.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -41.58 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -59.87 -59.25 5.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -122.65 145.65 48.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 1.8 mp0 -88.55 -20.39 25.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -95.01 36.13 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.515 ' OE2' HD23 ' A' ' 132' ' ' LEU . 21.0 tp10 -104.22 -30.7 10.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.676 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.2 p 35.08 52.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.515 HD23 ' OE2' ' A' ' 130' ' ' GLU . 74.1 mt -36.65 -43.23 0.4 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 42.9 t -142.81 134.73 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -121.03 103.48 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.5 t -120.09 140.16 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -116.72 123.59 47.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 118' ' ' ALA . 60.2 t -42.92 -43.15 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.457 ' HE ' HG21 ' A' ' 30' ' ' THR . 16.0 mmp_? -49.2 -45.63 44.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.06 -34.78 59.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.428 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 6.0 tt -46.54 125.94 7.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.418 ' N ' HD23 ' A' ' 140' ' ' LEU . 30.7 p -95.59 -59.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.635 ' CB ' HG12 ' A' ' 87' ' ' VAL . 30.6 t80 -144.72 153.67 41.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -153.78 163.91 39.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -177.04 -167.15 35.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.482 HG23 ' CD ' ' A' ' 22' ' ' GLN . 17.4 m -119.62 156.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -90.14 178.13 43.2 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 146' ' ' GLY . 0.7 OUTLIER -34.59 -42.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -103.79 115.33 30.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 31.0 m -42.47 -37.88 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -45.65 -41.08 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 35.9 p -78.27 135.79 37.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -139.09 117.04 11.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -130.18 165.1 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -152.07 145.18 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 72.6 mt -95.78 124.84 48.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.1 ptm -125.88 166.51 16.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.86 123.78 50.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.3 p -101.21 -10.24 20.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -148.03 -141.16 3.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -81.35 -67.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.319 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -111.15 17.62 20.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.428 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 3.4 mmp_? -95.34 137.18 34.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -137.49 117.24 13.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.455 ' OE1' ' CE1' ' A' ' 166' ' ' HIS . 4.1 tm-20 -106.98 156.35 18.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.412 ' N ' ' CD ' ' A' ' 164' ' ' GLU . 4.6 t -125.04 125.33 43.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.455 ' CE1' ' OE1' ' A' ' 164' ' ' GLU . 97.4 m-70 -113.74 113.06 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 153' ' ' ALA . 24.8 t -90.19 149.51 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -147.43 138.3 23.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.495 ' CE2' ' HE2' ' A' ' 105' ' ' LYS . 51.1 t-105 -91.35 134.08 34.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 174' ' ' ALA . 75.8 m -111.11 150.16 29.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 14.7 mt-10 -137.47 127.34 15.47 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.943 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.75 -49.96 0.21 Allowed 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.307 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' A' ' 175' ' ' ALA . 35.5 p-10 -123.1 169.52 11.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.491 ' HB2' ' SG ' ' A' ' 170' ' ' CYS . . . -93.46 36.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.491 ' HA ' HD21 ' A' ' 18' ' ' LEU . . . -69.53 -45.99 67.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -79.92 -54.52 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 86.1 t -43.31 -62.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.2 t -60.71 -28.96 69.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.31 -29.18 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -73.27 -52.24 14.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.55 -35.62 73.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.569 ' HG3' ' CE1' ' A' ' 26' ' ' TYR . 33.4 tt0 -57.49 -47.6 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -68.56 -32.89 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -45.82 -41.66 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -113.84 -54.36 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.89 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -58.9 120.02 8.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.06 84.57 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -138.65 132.4 30.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -142.34 161.32 38.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.24 143.67 17.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -146.34 138.94 25.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.25 -56.79 16.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.07 117.46 34.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.3 p -65.03 152.64 8.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.3 p -77.23 151.18 81.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.593 0.711 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -7.65 21.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -95.37 -52.13 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.48 -51.58 53.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -43.64 -58.21 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -47.71 -52.56 17.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 175' ' ' ALA . 13.7 mt -57.38 -52.83 63.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 18' ' ' LEU . 64.8 m -35.13 -49.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -56.69 -46.6 81.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' LEU . 11.7 mtt -53.94 -38.92 65.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.458 ' HG2' HG23 ' A' ' 145' ' ' VAL . 80.2 mt-30 -68.37 -41.18 80.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -49.59 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -130.04 -41.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.77 177.12 18.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -130.68 95.74 3.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.902 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -72.61 176.98 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.916 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.431 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 37.2 t30 -97.83 107.48 40.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 28' ' ' ASN . 53.2 Cg_endo -69.77 -27.0 26.94 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 p -67.65 -43.12 81.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -58.31 -57.86 11.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.971 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -27.07 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.929 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.3 -55.13 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -56.78 -44.96 82.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 1.2 pp20? -82.02 41.3 0.66 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 37' ' ' MET . 24.7 tp60 -86.99 143.1 27.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.406 ' N ' ' HG3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -71.61 90.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -78.4 154.62 30.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -126.79 146.08 50.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.1 t -174.58 159.58 2.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.39 76.94 0.74 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -42.76 3.16 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.7 t -116.28 149.63 38.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.6 p -50.83 -45.82 59.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.15 157.13 11.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.467 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.8 mt -83.16 74.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 0.0 111.117 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -81.88 101.16 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.02 179.37 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.55 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -77.95 -44.99 25.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -63.64 142.42 46.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 82.3 p -68.99 125.32 26.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -159.76 149.38 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.14 -179.69 40.78 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 m -60.76 144.61 52.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.7 m -42.71 -51.81 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.76 63.48 0.4 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -134.98 106.26 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.381 . . . . 0.0 110.853 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.2 p -113.53 157.25 22.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.76 152.06 12.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -174.16 148.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.4 t -103.29 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.67 139.57 5.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 132.73 23.98 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.262 . . . . 0.0 112.345 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 ' CG2' ' HD2' ' A' ' 65' ' ' PRO . 3.0 m -123.27 134.84 25.42 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.538 0.685 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 64' ' ' THR . 53.7 Cg_endo -69.81 162.64 41.31 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.298 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -151.29 135.0 16.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.3 t -86.23 163.1 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -114.85 24.43 11.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.5 mt -140.67 173.39 11.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 116' ' ' ALA . 3.2 p -166.23 146.63 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.148 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -107.52 142.55 37.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -132.64 109.9 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -107.68 152.4 24.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.517 ' O ' HG13 ' A' ' 75' ' ' VAL . 3.1 tmt_? -92.21 128.59 38.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 74' ' ' ARG . 28.4 m -160.31 175.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -120.28 152.62 37.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -103.74 117.95 35.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.03 -57.5 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 168.16 -171.02 42.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.544 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.472 ' HE1' ' C ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -109.42 100.28 9.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.802 0.334 . . . . 0.0 110.921 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.735 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -106.01 122.58 41.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.615 0.721 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.675 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.74 156.59 63.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.459 HG13 ' HB2' ' A' ' 165' ' ' CYS . 11.4 m -128.29 153.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -85.42 -30.61 23.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -124.46 150.48 64.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -24.08 30.19 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.882 HG12 ' HB2' ' A' ' 142' ' ' PHE . 23.8 m -140.71 164.98 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.62 121.26 2.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.464 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.3 mmt -53.97 -57.92 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.319 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.38 -46.78 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 46.2 m -61.16 -43.77 98.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.712 HD13 ' HE2' ' A' ' 142' ' ' PHE . 5.3 tp -60.95 -54.62 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.33 -53.44 51.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 t -38.55 -46.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.7 -55.12 12.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' HA ' HG21 ' A' ' 167' ' ' VAL . 59.9 mt -38.23 -68.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -49.97 -52.67 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -41.98 -42.37 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 81' ' ' LEU . 84.1 mt -80.92 -40.75 24.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 12.1 mtp -49.68 -45.72 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 t -77.69 -29.66 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.082 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.1 m -61.27 -51.93 66.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -118.82 177.82 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.3 m -101.85 156.8 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.448 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 66.2 tttt -52.41 -45.28 65.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -73.1 -42.0 63.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -43.73 -39.48 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.448 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 9.2 m0 -56.08 123.07 52.03 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 140.68 43.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.223 . . . . 0.0 112.353 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 58.5 p -67.36 119.46 12.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.452 HG23 HG23 ' A' ' 75' ' ' VAL . 30.6 m -131.13 173.28 14.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -131.87 152.83 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.1 ttm -101.13 104.2 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 31.4 t-20 -90.39 97.05 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.4 t -101.3 110.1 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.579 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -150.93 126.86 10.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.1 t0 62.65 37.35 12.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 62.0 43.16 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.2 m -132.3 115.53 15.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 93.9 t -90.1 101.13 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.7 m -116.77 119.22 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.503 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 62.3 t -85.62 105.25 14.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.484 HD13 ' HA ' ' A' ' 131' ' ' VAL . 15.3 mm -103.23 129.88 54.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 t -53.26 139.34 29.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.3 -65.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -69.98 -71.08 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -58.44 131.04 49.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -98.86 -28.1 13.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -102.48 40.26 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.417 ' CG ' ' HG ' ' A' ' 132' ' ' LEU . 7.2 tp10 -98.66 -38.43 9.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.682 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.6 p 40.67 47.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.417 ' HG ' ' CG ' ' A' ' 130' ' ' GLU . 67.9 mt -37.39 -47.42 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 95.6 t -134.47 139.33 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -125.06 105.09 8.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.9 t -124.04 151.99 43.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 139' ' ' PHE . 27.1 mtp180 -127.74 128.4 45.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 136' ' ' ARG . 90.9 t -37.47 -47.2 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -51.39 -43.37 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 136' ' ' ARG . 22.5 m-85 -74.66 -32.84 62.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 tt -43.06 137.41 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.43 ' OG ' HG22 ' A' ' 155' ' ' ILE . 80.5 p -108.6 -41.95 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.882 ' HB2' HG12 ' A' ' 87' ' ' VAL . 15.0 t80 -155.0 165.12 37.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.565 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 4.5 ptp -159.11 152.14 22.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -178.8 -156.49 17.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 22' ' ' GLN . 12.3 m -138.46 155.4 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.359 . . . . 0.0 111.1 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -85.21 -178.89 50.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 146' ' ' GLY . 21.8 mtmm -35.36 -42.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.821 0.344 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.3 121.7 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.4 ' HB ' HD13 ' A' ' 18' ' ' LEU . 26.3 m -44.22 -26.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 76.4 m80 -53.95 -41.74 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 76.2 p -84.78 124.71 31.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -128.72 116.88 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.416 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -122.86 166.25 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.065 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 20.9 p90 -151.24 137.27 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.43 HG22 ' OG ' ' A' ' 141' ' ' SER . 74.2 mt -96.45 124.93 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 7.7 ptm -122.17 166.88 13.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.18 115.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.409 HG21 ' OE1' ' A' ' 164' ' ' GLU . 68.1 p -90.36 -49.87 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -104.29 -147.74 17.59 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -70.4 -66.54 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.5 20.97 14.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -94.52 142.05 27.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -134.41 123.99 24.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.409 ' OE1' HG21 ' A' ' 158' ' ' THR . 84.1 mt-10 -107.75 146.25 32.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.459 ' HB2' HG13 ' A' ' 83' ' ' VAL . 7.9 t -114.31 116.54 29.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 168' ' ' PHE . 93.3 m-70 -109.1 109.72 20.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' A' ' 96' ' ' ILE . 17.9 t -89.58 144.59 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.503 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 95.3 m-85 -143.93 136.97 27.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 26.3 t-105 -86.19 136.34 33.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.78 148.6 45.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.537 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 23.4 mm-40 -139.92 134.13 15.73 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 110.895 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.6 Cg_endo -69.7 -48.32 0.27 Allowed 'Cis proline' 0 C--N 1.34 0.117 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.347 -0.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 45.1 p-10 -118.13 176.99 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -104.33 38.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.113 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.576 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -83.23 -61.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -54.18 -40.01 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 74.5 t -68.51 -50.93 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.5 m -58.58 -55.0 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -58.23 -38.18 76.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -59.28 -60.31 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 182' ' ' GLN . 14.7 p -61.05 -40.84 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.439 ' N ' HG13 ' A' ' 181' ' ' VAL . 11.8 tt0 -58.51 -50.69 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.49 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.27 98.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 99.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 p -121.34 42.47 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 m 45.16 43.26 7.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.15 101.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -150.14 140.95 22.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.907 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -167.2 171.53 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.15 125.04 4.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.459 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.16 143.22 50.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.777 0.323 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -172.87 175.11 3.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.87 115.6 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p -98.77 149.86 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 p -83.02 152.65 65.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.615 0.721 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -8.07 22.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.641 2.227 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -94.99 -55.85 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' LEU . 40.3 mt-10 -44.01 -44.81 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' GLU . 20.6 mmm180 -37.6 -40.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -71.89 -42.81 66.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.56 HD13 ' HB ' ' A' ' 149' ' ' VAL . 17.7 mt -64.27 -51.55 63.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' GLN . 16.3 m -40.36 -51.29 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -40.49 -40.44 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.54 ' HE1' ' HB3' ' A' ' 178' ' ' SER . 6.5 mtt -61.33 -39.29 89.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' SER . 94.4 mt-30 -72.31 -27.1 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -60.33 -63.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -124.07 -48.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.59 -176.64 16.74 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 182' ' ' GLN . 31.7 t80 -122.42 102.57 8.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -85.45 158.3 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -101.09 113.75 65.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.839 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -42.15 3.58 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.712 2.275 . . . . 0.0 112.297 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.4 m -52.53 -44.16 65.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -64.57 -47.21 79.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -90.87 52.8 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -129.57 -51.36 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -79.7 -35.98 38.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.64 -42.75 84.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -45.23 135.23 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.35 134.85 49.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -100.94 100.91 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -71.85 175.23 5.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.0 p -162.61 149.14 12.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -124.95 72.89 0.43 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -6.89 19.7 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.692 2.261 . . . . 0.0 112.294 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -102.93 85.53 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 t -43.79 -62.86 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.81 -179.11 1.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.52 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 pt -144.63 141.74 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.38 175.62 11.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.07 106.21 1.4 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -136.08 -179.03 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.91 174.74 4.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.5 m -129.96 167.24 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.2 m -113.94 167.99 10.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.78 -168.64 13.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 p -169.01 156.68 7.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.5 t -164.97 167.58 18.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.23 175.04 31.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 t -156.34 159.61 38.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.5 m -149.18 152.57 36.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -151.88 114.48 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.546 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.2 m -122.53 159.91 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.2 p -156.5 -177.41 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -175.87 141.16 5.48 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 169.78 18.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.328 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.9 p -42.05 128.68 2.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.518 0.675 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -166.22 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.96 33.66 5.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.9 m -67.11 128.19 35.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.08 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -124.74 -7.84 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 25.8 mt -114.45 154.06 28.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.4 p -168.23 135.21 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 27.0 mt-30 -104.03 119.94 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -107.8 120.33 41.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 71' ' ' GLN . 94.7 m-85 -116.97 153.43 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' C ' ' CD ' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -99.16 118.12 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.5 m -150.59 171.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -107.9 162.29 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -118.87 106.52 12.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.3 mp -69.42 -36.73 76.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 137.9 -172.88 22.66 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.521 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.553 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 15.3 ttp -99.58 139.01 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -141.77 117.8 7.16 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.597 0.713 . . . . 0.0 110.949 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.486 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.8 Cg_endo -69.79 147.87 63.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.638 2.225 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 m -123.86 177.96 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -107.02 -28.43 10.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -122.69 146.22 47.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.457 ' O ' HG21 ' A' ' 155' ' ' ILE . 54.2 Cg_endo -69.73 -19.99 35.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.617 HG12 ' HB3' ' A' ' 142' ' ' PHE . 20.2 m -141.69 167.28 16.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.5 124.45 3.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 72.9 mmm -59.41 -52.6 64.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.311 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.39 -47.46 69.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.5 m -57.63 -56.93 15.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 93' ' ' ASN . 7.0 tt -61.47 -62.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.951 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.577 ' N ' HD23 ' A' ' 92' ' ' LEU . 15.9 m-20 -43.2 -43.84 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.3 t -48.04 -48.93 32.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -55.33 -46.23 76.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.604 ' HA ' HG21 ' A' ' 167' ' ' VAL . 68.7 mt -46.54 -52.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.75 -35.74 82.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.9 -45.84 91.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.497 ' CD2' HD23 ' A' ' 81' ' ' LEU . 84.6 mt -76.87 -39.74 50.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.1 mtt -48.73 -50.39 33.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.8 t -72.15 -18.2 61.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.7 t -70.23 -50.03 44.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.6 m -127.27 165.93 18.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.6 m -88.21 157.6 18.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.487 ' HA ' ' CE3' ' A' ' 108' ' ' TRP . 58.8 tttt -49.62 -46.8 49.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -70.6 -44.99 66.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.33 -26.76 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.487 ' CE3' ' HA ' ' A' ' 105' ' ' LYS . 31.0 m0 -66.86 121.33 77.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 122.2 8.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 55.1 m -63.01 108.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.4 m -111.08 170.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -118.34 141.21 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.8 tpp -96.06 108.65 21.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -95.61 99.11 11.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.02 108.89 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -149.48 134.8 18.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 3.8 t70 56.28 37.37 28.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.443 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 65.44 32.26 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 84.7 m -121.74 120.79 35.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.9 t -99.76 99.66 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.524 ' CG2' HG23 ' A' ' 131' ' ' VAL . 24.5 m -114.86 120.45 40.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.9 t -85.16 94.36 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 128' ' ' GLU . 5.2 mm -89.78 136.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.3 t -50.54 168.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.34 -49.61 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -113.55 -59.54 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -46.83 108.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 123' ' ' ILE . 2.1 tp10 -86.49 -13.95 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -103.73 19.13 20.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -87.83 -42.55 12.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.699 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.4 p 39.52 48.43 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 87.2 mt -33.44 -39.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 131' ' ' VAL . 53.8 t -146.69 138.49 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -122.61 99.52 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 49.9 t -114.81 150.36 35.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 137' ' ' VAL . 65.0 mtt180 -130.15 119.36 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 136' ' ' ARG . 90.9 t -35.11 -51.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -39.52 -48.74 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.94 -35.67 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 141' ' ' SER . 3.8 tt -43.9 138.38 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 140' ' ' LEU . 86.1 p -113.07 -40.13 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.682 ' CD1' ' N ' ' A' ' 143' ' ' MET . 0.0 OUTLIER -160.44 166.72 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.682 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 9.7 ptt? -165.5 154.53 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -173.02 175.62 45.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.3 m -108.96 157.59 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 22' ' ' GLN . . . -89.3 -157.94 33.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -50.29 -53.47 28.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.71 117.08 29.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.56 ' HB ' HD13 ' A' ' 18' ' ' LEU . 28.1 m -49.25 -26.34 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -51.98 -27.95 15.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 50.1 p -99.51 133.85 43.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -131.37 121.26 24.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.576 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -130.94 154.86 47.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -141.41 147.82 38.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' A' ' 142' ' ' PHE . 69.3 mt -97.64 115.61 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 14.6 ptm -115.42 162.38 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.06 116.34 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 46.2 p -94.13 -55.94 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . -82.27 -142.29 4.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.551 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -85.58 -51.47 6.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.755 0.312 . . . . 0.0 110.812 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -127.72 9.95 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.434 ' O ' ' CD1' ' A' ' 163' ' ' PHE . 1.2 mpt_? -79.14 154.55 29.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 162' ' ' ARG . 6.2 m-85 -138.13 118.58 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.434 ' OE2' ' C ' ' A' ' 81' ' ' LEU . 14.3 tp10 -107.3 153.99 21.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 46.0 t -124.11 125.86 45.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.553 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 86.6 m-70 -120.05 127.11 52.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.604 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.2 t -97.0 156.77 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -155.68 132.25 10.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -85.55 139.29 31.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 85.8 m -125.65 153.9 43.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 77.2 mt-10 -144.25 130.81 10.12 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 110.915 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.5 Cg_endo -69.74 -48.57 0.26 Allowed 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.742 -1.774 . . . . 0.0 112.297 0.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -120.41 177.26 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.539 ' C ' HD21 ' A' ' 18' ' ' LEU . . . -95.15 26.58 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -73.71 -58.14 3.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.22 -22.14 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 77.4 t -86.64 -55.49 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . 0.54 ' HB3' ' HE1' ' A' ' 21' ' ' MET . 7.1 m -54.27 -47.27 72.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.93 -33.49 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -67.91 -49.79 59.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.38 -33.17 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.414 ' HG2' ' CE2' ' A' ' 26' ' ' TYR . 37.0 mt-30 -60.71 -52.59 64.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.82 -49.64 38.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -44.0 -41.62 5.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.9 m -104.35 157.78 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -148.06 129.47 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.31 -144.72 4.71 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -62.79 162.54 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -119.28 -52.99 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.0 109.94 1.98 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -145.86 131.08 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.832 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.29 -60.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.91 138.71 31.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -54.93 139.19 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -70.93 152.88 94.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.618 0.723 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.28 25.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.238 . . . . 0.0 112.355 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -96.15 -36.8 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -67.15 -41.0 86.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -50.44 -60.54 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -50.93 -36.82 40.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.5 mt -68.45 -45.31 72.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.2 m -45.48 -42.71 10.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -54.09 -54.4 39.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.4 mmt -46.58 -26.49 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -92.51 -29.63 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -59.41 -74.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.41 -36.01 5.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.84 166.61 25.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.485 ' CE2' ' CG ' ' A' ' 182' ' ' GLN . 29.5 t80 -104.43 92.83 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 0.0 110.9 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.637 ' OE2' HG11 ' A' ' 87' ' ' VAL . 3.2 mm-40 -77.3 169.34 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -113.78 111.78 48.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -36.41 10.79 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.644 2.229 . . . . 0.0 112.365 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.1 m -53.98 -40.66 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -59.17 -53.6 56.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' CE ' ' HA ' ' A' ' 32' ' ' LYS . 1.0 OUTLIER -81.59 50.37 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -120.03 -47.36 2.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -83.43 -25.88 30.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -89.97 51.86 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -91.47 70.16 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.2 tpp -87.33 118.87 27.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 39' ' ' ASN . 80.7 mt-30 -120.35 143.11 48.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' GLN . 13.1 m-20 -37.04 126.63 0.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -105.0 -45.71 4.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.13 -164.62 13.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 110.98 2.68 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -81.02 104.52 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.5 t -142.66 130.93 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.39 123.12 16.29 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.621 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.7 pp -103.49 21.37 2.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 111.134 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -146.89 162.29 38.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.31 96.41 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -74.47 105.57 5.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.892 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.05 -99.79 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.1 t -143.13 159.62 41.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.936 0.398 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.1 p -152.26 177.28 10.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.78 75.65 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.419 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -143.69 157.53 44.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -109.81 142.25 41.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.07 55.92 0.67 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.0 p -53.77 143.72 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.6 m -146.56 171.5 14.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.26 172.78 30.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 t -149.34 133.9 17.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -157.12 105.99 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.12 158.86 18.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 81.92 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.35 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.1 p -61.62 147.01 89.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.571 0.7 . . . . 0.0 111.162 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 121.63 8.31 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.76 170.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.0 m -158.24 119.04 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -110.85 -3.35 15.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD23 ' H ' ' A' ' 69' ' ' LEU . 2.5 pt? -120.28 157.4 29.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.627 HG21 ' OD1' ' A' ' 114' ' ' ASN . 1.8 p -158.41 147.57 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 15.9 mt-30 -96.87 129.18 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.24 119.38 36.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 71' ' ' GLN . 36.0 m-85 -125.02 120.66 32.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.589 ' O ' HG13 ' A' ' 75' ' ' VAL . 4.1 tpp85 -66.86 139.68 57.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 74' ' ' ARG . 18.9 m -161.8 -176.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 105' ' ' LYS . 37.6 mt-30 -126.27 139.31 53.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -100.69 102.91 14.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 8.4 mp -65.76 -34.55 78.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.18 173.95 13.19 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.444 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.515 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 7.0 tmm? -86.48 138.22 31.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 0.0 110.868 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.501 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -138.85 114.72 8.62 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.728 . . . . 0.0 110.917 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.501 ' HD2' HD13 ' A' ' 81' ' ' LEU . 54.1 Cg_endo -69.71 145.52 57.68 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.256 . . . . 0.0 112.348 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -127.33 161.67 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.86 -30.53 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -114.99 144.42 32.01 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.421 ' O ' HG21 ' A' ' 155' ' ' ILE . 53.5 Cg_endo -69.8 -21.17 33.69 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.825 HG12 ' HB3' ' A' ' 142' ' ' PHE . 35.0 m -141.76 -178.21 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 112.47 139.52 7.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.5 mmt -79.77 -42.96 23.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.318 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.53 -24.62 65.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.8 m -88.55 -45.89 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.421 HD21 ' HB3' ' A' ' 153' ' ' ALA . 8.9 tt -59.1 -54.42 47.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.505 ' HA ' HD12 ' A' ' 96' ' ' ILE . 2.9 m-80 -54.44 -49.99 68.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 t -40.9 -49.79 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.96 -57.89 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.52 ' HA ' HG21 ' A' ' 167' ' ' VAL . 81.0 mt -37.84 -51.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -61.86 -47.7 83.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.57 ' O ' HG22 ' A' ' 101' ' ' THR . 7.5 t-20 -44.31 -53.39 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 102' ' ' SER . 6.2 mt -73.54 -49.37 26.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.0 mtt -40.89 -40.27 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 98' ' ' ASN . 15.4 t -82.03 -28.83 32.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 99' ' ' LEU . 53.3 m -56.3 -53.62 55.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.9 p -129.22 -179.19 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.417 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 11.2 m -90.48 158.08 17.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 43.1 tttm -54.11 -47.88 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.0 -30.61 63.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -57.11 -26.61 60.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 7.6 m0 -69.77 128.92 91.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.561 0.696 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 122.0 8.67 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.56 112.04 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.3 m -112.45 166.69 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -110.94 140.46 45.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 45.5 ttm -95.68 99.19 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.627 ' OD1' HG21 ' A' ' 70' ' ' VAL . 31.3 t30 -86.39 96.31 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 48.4 t -94.87 103.94 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.455 ' HB2' ' HB ' ' A' ' 70' ' ' VAL . . . -143.52 150.25 38.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.7 t70 40.78 49.46 2.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 47.87 40.75 13.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.6 m -133.44 117.07 16.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 135' ' ' CYS . 78.7 t -84.66 112.11 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.1 m -121.52 131.85 54.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.92 94.81 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.9 mm -92.44 134.0 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 t -55.65 165.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -71.37 -49.15 45.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -82.93 -68.8 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -65.3 156.91 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -32.19 5.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.54 15.34 11.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 131' ' ' VAL . 7.1 tp10 -73.36 -36.81 66.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.699 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.3 p 35.63 50.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 82.2 mt -34.67 -47.19 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.4 t -136.42 144.72 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -128.01 98.49 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 120' ' ' VAL . 7.7 t -116.56 140.43 49.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -114.48 128.58 56.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 98.9 t -49.0 -35.56 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -58.03 -38.11 75.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -88.54 -10.71 47.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.7 tt -62.88 113.98 3.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.9 p -77.76 -57.28 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.825 ' HB3' HG12 ' A' ' 87' ' ' VAL . 4.0 t80 -152.8 149.61 28.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.45 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 2.1 ptt? -137.98 151.16 47.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -166.8 -169.11 29.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.537 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 5.0 m -127.83 144.5 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -68.29 -173.47 7.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.31 -28.72 2.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -115.5 122.54 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.432 HG23 ' N ' ' A' ' 150' ' ' HIS . 32.9 m -44.23 -40.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.525 ' HB3' ' CZ2' ' A' ' 169' ' ' TRP . 71.0 m80 -44.05 -41.65 5.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 54.5 p -82.25 128.91 34.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -134.71 113.9 12.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' A' ' 167' ' ' VAL . . . -126.29 166.14 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -151.13 148.27 28.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.421 HG21 ' O ' ' A' ' 86' ' ' PRO . 76.6 mt -98.47 126.43 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -128.72 167.79 16.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.98 141.82 43.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 33.5 p -109.72 -48.58 3.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 173.81 151.96 8.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 68.28 34.36 3.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 62.54 27.47 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 41.0 mtm180 -89.99 153.67 20.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.441 ' C ' ' OE1' ' A' ' 164' ' ' GLU . 2.7 m-85 -134.4 127.7 32.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 164' ' ' GLU . 1.6 mp0 -114.09 151.05 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 53.3 t -113.45 123.67 50.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.515 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 96.6 m-70 -118.68 114.46 22.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.52 HG21 ' HA ' ' A' ' 96' ' ' ILE . 21.4 t -91.39 147.75 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -148.48 127.43 12.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.525 ' CZ2' ' HB3' ' A' ' 150' ' ' HIS . 31.5 t-105 -86.16 132.71 33.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.462 ' SG ' HG21 ' A' ' 177' ' ' VAL . 54.7 m -107.38 156.28 19.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 26.5 mt-10 -143.37 126.98 9.2 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.653 0.74 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.7 Cg_endo -69.69 -50.69 0.18 OUTLIER 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.745 -1.773 . . . . 0.0 112.338 -0.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -118.85 173.35 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -96.0 33.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.33 -51.54 11.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -72.16 -39.66 68.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.462 HG21 ' SG ' ' A' ' 170' ' ' CYS . 75.7 t -65.47 -61.64 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.6 t -55.91 -28.33 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.36 -50.65 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -50.27 -53.45 28.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.39 -37.73 71.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.485 ' CG ' ' CE2' ' A' ' 26' ' ' TYR . 33.9 tt0 -61.74 -58.92 6.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -46.17 -39.11 9.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -51.57 -42.3 61.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.7 p -85.33 169.84 13.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -121.84 172.36 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.13 105.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p -90.3 161.39 15.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -144.67 171.59 14.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.01 157.15 7.58 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -96.06 104.72 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.48 134.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 117.01 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.8 145.44 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 p -87.72 151.01 49.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -6.64 19.11 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.56 -32.21 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -76.15 -48.91 18.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -39.03 -37.44 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -81.65 -40.66 22.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 HG11 ' A' ' 149' ' ' VAL . 21.1 mt -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.1 p -40.97 -42.48 1.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -54.82 -50.61 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.7 mmt -48.03 -33.84 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -78.54 -26.21 45.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -64.25 -62.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -126.65 -39.85 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.0 -174.35 21.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 182' ' ' GLN . 3.1 t80 -119.65 102.47 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -87.29 169.77 12.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -117.22 116.98 37.13 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -32.08 19.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.705 2.27 . . . . 0.0 112.36 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.9 m -40.23 -53.08 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -61.45 -50.73 71.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -43.51 -52.34 6.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' LYS . 18.1 t80 -35.52 -64.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -54.19 -39.2 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 32' ' ' LYS . 23.2 mm-40 -86.28 51.08 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -90.36 148.97 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.9 -33.38 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -65.82 114.29 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -125.59 120.73 31.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 t -142.41 166.36 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.38 69.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 128.85 16.61 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.278 . . . . 0.0 112.293 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.5 p -64.89 124.08 21.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.7 p -139.39 175.77 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.03 51.46 0.88 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.9 mt -145.95 130.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.748 0.309 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.17 125.18 49.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 40.03 -102.55 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.51 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -147.8 163.74 35.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.929 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.66 134.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.452 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 93.6 p -159.91 126.06 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.818 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.2 t -95.75 -50.58 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.89 104.76 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 t -155.5 111.15 3.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.35 . . . . 0.0 110.868 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.9 m -121.44 164.11 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -130.64 117.97 2.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.1 m -92.4 55.81 2.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.8 t -88.69 118.19 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.32 157.6 16.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.5 m -112.05 163.76 13.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.833 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m -154.64 149.28 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -116.67 147.93 18.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -178.57 2.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.738 2.292 . . . . 0.0 112.337 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 130.05 93.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.624 0.726 . . . . 0.0 111.131 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 166.91 26.0 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -89.22 165.6 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -95.2 142.32 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -120.73 121.32 37.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 76.9 mt -48.37 177.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.876 HG23 ' HB2' ' A' ' 116' ' ' ALA . 7.9 p -127.29 144.71 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -109.16 123.2 48.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.93 118.72 34.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -112.29 157.15 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -101.11 116.14 32.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.1 m -150.19 165.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -105.74 155.14 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -106.54 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 4.5 mp -66.67 -50.59 62.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 155.2 -178.53 31.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.409 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 23.8 ttp -100.76 141.68 33.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.321 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HD2' ' A' ' 82' ' ' PRO . 0.3 OUTLIER -145.27 122.87 6.32 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.647 ' HD2' HD13 ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.8 136.38 32.75 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.312 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -108.57 156.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -92.45 -25.7 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -124.4 149.19 60.62 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -25.95 28.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.747 2.298 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -140.35 176.67 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.99 136.75 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.598 ' CE ' HD22 ' A' ' 92' ' ' LEU . 3.8 mmt -68.41 -58.27 4.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -41.84 -40.78 2.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -68.51 -33.21 73.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.598 HD22 ' CE ' ' A' ' 89' ' ' MET . 4.7 tp -68.62 -57.77 5.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -53.88 -49.65 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -39.99 -53.64 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -61.0 -47.03 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.404 ' HA ' HG21 ' A' ' 167' ' ' VAL . 61.1 mt -53.76 -57.59 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.05 -32.83 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.2 -52.67 64.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.7 mt -71.86 -38.97 69.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 2.1 mmt -46.92 -51.13 17.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.896 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.2 t -77.32 -20.16 55.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.9 t -66.75 -52.72 41.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 34.8 m -125.88 165.83 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.807 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.49 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 4.9 m -85.19 169.25 14.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.48 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.0 tttm -64.07 -35.92 82.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -73.59 -37.03 65.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.72 -36.5 57.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.49 ' CD1' ' O ' ' A' ' 104' ' ' SER . 9.4 m0 -57.18 115.57 10.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.559 0.695 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 135.35 30.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.623 2.215 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 76.9 p -64.33 119.29 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 29.9 m -127.71 177.64 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -132.26 145.01 51.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 29.0 tpp -96.81 102.48 14.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -87.59 96.98 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 65.3 t -101.4 100.98 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.876 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -141.69 140.99 33.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.3 t0 47.65 45.86 17.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.407 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.08 41.05 27.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 87.4 m -129.31 123.95 33.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.158 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 96.2 t -100.92 96.26 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.7 m -114.59 117.23 30.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.616 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 56.1 t -85.68 96.4 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.8 mm -90.23 139.17 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.6 t -69.69 147.34 50.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.35 -37.51 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -71.3 -47.69 55.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -118.36 138.72 52.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.83 -37.91 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -84.85 19.68 2.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 131' ' ' VAL . 5.4 tp10 -81.8 -30.45 32.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.581 ' O ' HG22 ' A' ' 131' ' ' VAL . 11.8 p 33.35 50.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -35.92 -53.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.46 133.49 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -119.11 103.6 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 19.3 t -116.39 149.25 39.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 21.6 mtm180 -127.63 116.11 19.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 136' ' ' ARG . 43.3 t -36.31 -41.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 43.2 mtt-85 -45.72 -47.91 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -80.1 -34.73 37.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.6 tt -40.55 130.08 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.0 p -98.16 -56.5 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 143' ' ' MET . 11.4 t80 -148.95 155.39 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.43 ' HE1' ' HA ' ' A' ' 182' ' ' GLN . 17.0 ptt? -151.75 146.0 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -162.23 -167.49 22.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.536 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 11.6 m -119.18 160.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.61 -171.15 43.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 148' ' ' ASP . 39.2 pttt -38.77 -46.84 1.31 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.45 ' N ' ' HG3' ' A' ' 147' ' ' LYS . 6.1 m-20 -104.09 127.72 51.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 150' ' ' HIS . 30.3 m -46.56 -46.25 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.503 ' N ' HG23 ' A' ' 149' ' ' VAL . 51.4 m80 -38.37 -45.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 52.1 p -77.09 135.73 38.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -139.48 122.66 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -134.83 153.95 51.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -140.9 148.19 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 70.2 mt -100.24 136.41 31.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.4 ptm -140.05 153.25 46.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -77.14 133.51 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 66.0 p -124.73 -33.1 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.481 ' HA3' ' NE ' ' A' ' 162' ' ' ARG . . . -126.9 -145.51 6.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . 0.461 ' N ' ' HD3' ' A' ' 162' ' ' ARG . 50.8 m-20 -73.54 -72.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.915 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -117.08 12.36 14.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.481 ' NE ' ' HA3' ' A' ' 159' ' ' GLY . 0.0 OUTLIER -110.21 147.48 33.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.97 158.29 44.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -117.58 149.27 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 20.5 t -112.45 106.4 14.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.409 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 97.1 m-70 -91.9 113.0 25.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.404 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.3 t -90.5 153.19 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.616 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 89.1 m-85 -152.5 140.02 19.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 54.0 t-105 -93.02 139.38 30.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.58 ' SG ' HG21 ' A' ' 177' ' ' VAL . 77.5 m -122.0 149.05 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 2.3 mp0 -137.74 132.62 17.45 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.661 0.743 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.72 -50.45 0.19 OUTLIER 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.358 -0.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -123.69 166.73 15.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.29 39.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -78.62 -50.19 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -74.17 -35.73 64.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.58 HG21 ' SG ' ' A' ' 170' ' ' CYS . 53.8 t -63.36 -59.99 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 3.3 m -59.83 -18.64 45.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.54 -44.78 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.04 77.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 177' ' ' VAL . 7.1 p -60.69 -48.58 88.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 1.4 pt20 -66.71 -21.33 66.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -74.84 -14.85 60.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.407 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -80.4 -37.02 32.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 t -101.31 131.09 47.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.4 p -63.97 150.11 45.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.75 -92.12 2.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -132.78 149.9 52.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.913 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 t -112.61 135.31 53.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.23 -105.1 2.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 61.58 39.11 15.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.327 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 45.67 41.64 7.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.03 122.31 4.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.3 138.53 20.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -73.17 151.72 90.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.57 0.7 . . . . 0.0 111.142 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -6.88 19.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -96.56 -30.17 13.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -75.35 -36.79 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -56.82 -40.77 76.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -80.72 -40.25 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' MET . 40.0 mt -61.28 -56.66 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 83.1 p -37.12 -41.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -55.39 -46.64 76.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' LEU . 13.1 mmt -52.61 -22.49 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -94.02 -40.22 10.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -53.74 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -113.17 -46.24 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.82 -159.52 13.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 25.6 t80 -138.39 105.04 5.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -93.79 162.9 13.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -85.38 119.33 72.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.591 0.71 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -36.76 10.34 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.3 m -67.59 -54.12 22.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.41 -46.95 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 33' ' ' PHE . 5.7 tmmm? -55.21 -56.48 19.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' N ' ' HD2' ' A' ' 32' ' ' LYS . 2.3 t80 -47.7 -53.11 16.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -54.68 -51.07 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -44.98 -59.19 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -94.07 102.33 14.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 8.6 ptm -112.16 126.65 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -65.93 120.37 12.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -98.57 95.5 7.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -83.61 101.58 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.71 70.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.8 40.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.8 p -117.96 127.82 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.8 t -45.24 -45.2 11.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.98 115.8 1.02 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 pt -137.97 139.15 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.734 0.302 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -81.21 168.0 18.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.09 170.92 24.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.68 83.84 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.89 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.92 174.9 41.96 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -108.74 -59.09 1.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.377 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.0 p 43.85 43.54 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -111.94 148.16 18.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.5 m -152.12 166.87 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.6 p -146.06 176.46 9.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.18 169.78 42.85 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.525 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 92.4 p -89.42 171.04 10.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.2 m -118.26 40.16 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 50.38 -175.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.1 m -137.26 164.7 27.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.3 p -150.77 170.26 19.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -139.09 142.28 12.73 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 173.02 11.56 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.2 p -92.93 145.41 30.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.554 0.692 . . . . 0.0 111.191 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 133.72 26.17 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.359 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 ttmt -151.23 128.99 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.0 m -52.02 144.63 11.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -155.98 131.66 9.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.41 152.69 44.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.629 HG23 ' HB2' ' A' ' 116' ' ' ALA . 8.5 p -119.94 130.13 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.461 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 16.2 mt-30 -105.21 122.25 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.07 110.91 23.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 71' ' ' GLN . 94.3 m-85 -105.49 154.89 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 119.74 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -149.75 176.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -115.49 153.75 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -107.08 100.08 9.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.9 mp -62.82 -44.83 95.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 147.96 171.85 17.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 8.6 ttp -89.23 119.24 29.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' C ' ' OE2' ' A' ' 164' ' ' GLU . 0.7 OUTLIER -123.99 118.35 26.9 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.605 0.717 . . . . 0.0 110.895 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.46 56.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.9 m -132.53 166.24 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -90.46 -33.06 16.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -122.0 149.51 54.12 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -23.21 31.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.604 HG12 ' CB ' ' A' ' 142' ' ' PHE . 21.4 m -136.81 167.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.03 130.59 3.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.69 -59.16 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -47.74 -47.32 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.9 m -62.15 -41.31 98.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.459 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -65.57 -44.03 87.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' SER . 1.9 m-80 -63.89 -53.7 46.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' ASN . 8.1 t -35.75 -47.58 0.5 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -56.13 -49.97 72.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.437 ' CD1' ' HA3' ' A' ' 146' ' ' GLY . 64.8 mt -47.21 -55.46 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 101' ' ' THR . 26.2 mt-10 -59.81 -37.9 80.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -56.23 -54.74 41.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.7 mt -70.96 -38.1 72.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.2 mtt -52.85 -48.04 67.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 102' ' ' SER . 12.4 t -77.79 -45.43 24.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.515 ' N ' HG23 ' A' ' 101' ' ' THR . 5.2 t -47.12 -46.72 23.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 99.8 p -121.83 -176.28 3.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.412 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 3.2 p -107.03 158.35 17.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.512 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 37.4 tttm -58.7 -18.48 31.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -90.34 -38.42 13.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -51.69 -33.69 35.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.512 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 2.4 m0 -62.2 114.63 12.27 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.525 0.679 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.3 50.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.233 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.2 p -71.24 107.23 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.0 m -114.11 177.17 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -131.86 141.58 49.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.564 ' HG2' HG23 ' A' ' 115' ' ' VAL . 27.7 ttm -93.47 103.8 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -89.76 97.1 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.564 HG23 ' HG2' ' A' ' 113' ' ' MET . 98.5 t -101.63 106.69 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.629 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -147.6 130.27 15.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.3 t0 59.1 43.45 17.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.604 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 57.05 41.79 26.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 35.0 m -131.07 116.62 18.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 135' ' ' CYS . 73.0 t -91.04 97.09 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.702 ' CG2' HG23 ' A' ' 131' ' ' VAL . 27.0 m -116.4 115.85 26.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.59 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 94.2 t -82.61 104.57 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 131' ' ' VAL . 14.9 mm -98.33 140.35 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -65.42 153.96 39.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.41 -46.16 50.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -76.42 -44.65 35.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.55 135.84 46.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -93.64 -32.63 14.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -94.54 40.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' A' ' 131' ' ' VAL . 11.6 tp10 -101.61 -30.98 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.702 HG23 ' CG2' ' A' ' 121' ' ' THR . 15.0 p 32.15 49.38 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' VAL . 78.3 mt -35.82 -47.67 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 79.3 t -132.81 137.04 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -124.92 101.98 7.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 120' ' ' VAL . 11.5 t -125.17 145.25 50.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.36 123.15 44.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 85.1 t -38.77 -40.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -45.7 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 140' ' ' LEU . 22.4 m-85 -78.98 -37.0 40.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' 140' ' ' LEU . 7.4 tt -36.41 109.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 76.2 p -77.26 -57.91 3.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.604 ' CB ' HG12 ' A' ' 87' ' ' VAL . 23.3 t80 -148.41 143.79 27.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 8.4 ptt? -139.78 148.58 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -165.24 -156.25 9.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.43 161.93 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.437 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -91.12 -170.15 42.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -46.56 -39.88 11.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 149' ' ' VAL . 8.3 t0 -108.96 114.91 29.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 150' ' ' HIS . 32.6 m -36.92 -39.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 74.2 m80 -44.7 -47.83 10.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 70.0 p -77.33 121.53 23.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -123.7 116.77 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.459 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -123.56 171.58 9.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 14.1 p90 -162.51 140.3 8.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 84.5 mt -95.07 130.25 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -124.87 168.37 13.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -119.58 125.17 48.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.5 p -97.24 -30.09 13.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 145.27 162.48 9.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 6.6 t30 67.79 37.47 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.47 33.8 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -105.53 147.46 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -134.47 124.45 25.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.451 ' CG ' ' HG2' ' A' ' 80' ' ' MET . 21.0 tp10 -111.21 151.64 28.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 14.9 t -114.29 126.37 54.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.578 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 92.5 m-70 -114.99 118.15 32.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.432 HG21 ' HA ' ' A' ' 96' ' ' ILE . 28.0 t -94.09 140.36 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.59 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 96.0 m-85 -141.31 128.58 21.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -81.95 138.62 34.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 65.2 m -124.53 149.52 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 5.7 mm-40 -144.08 134.85 12.28 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.2 Cg_endo -69.73 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.39 -0.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.04 170.74 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -89.7 30.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -79.28 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -56.46 -21.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 94.8 t -91.15 -50.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 13.2 m -57.32 -37.93 73.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -39.57 67.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . . . -55.29 -50.99 68.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.088 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.57 -36.01 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 31.7 tt0 -53.51 -49.5 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -48.52 -46.68 38.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -57.18 -43.65 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -95.73 172.83 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.859 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 p -124.42 -20.52 5.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.13 96.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.452 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.7 p -132.1 44.8 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 p -101.22 44.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.46 125.75 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -128.23 98.95 5.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.44 -58.54 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.08 157.66 45.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.7 p -101.61 142.16 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.9 p -73.6 151.46 89.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.542 0.687 . . . . 0.0 111.178 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -11.11 30.15 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.653 2.235 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -95.19 -37.26 11.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HA ' HD12 ' A' ' 18' ' ' LEU . 11.4 mt-10 -65.22 -48.92 71.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' GLU . 66.8 mtm180 -37.36 -55.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -53.22 -36.98 61.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 15' ' ' GLU . 26.7 mt -72.62 -49.82 29.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' LEU . 41.9 m -34.22 -49.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -49.3 76.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.7 mmt -46.35 -39.75 10.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.556 ' HG2' HG23 ' A' ' 145' ' ' VAL . 96.5 mt-30 -69.98 -38.43 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -58.94 -69.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -111.76 -47.92 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 115.66 -152.01 18.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CZ ' ' HG3' ' A' ' 182' ' ' GLN . 59.4 t80 -138.0 118.41 13.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -97.16 130.84 44.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -75.14 114.47 35.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -34.98 13.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.27 . . . . 0.0 112.372 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.7 m -54.89 -50.38 68.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -41.22 -52.44 3.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HD3' ' CG ' ' A' ' 35' ' ' GLU . 10.3 tppt? -82.99 66.34 8.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -133.34 -70.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -70.62 -41.92 71.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CG ' ' HD3' ' A' ' 32' ' ' LYS . 2.3 pp20? -36.98 -37.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -63.9 112.87 3.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -141.99 135.86 29.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -123.6 89.67 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -145.81 159.57 43.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.9 t -86.36 42.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.71 -74.54 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 132.87 24.13 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -159.57 134.94 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -70.09 168.89 14.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -54.03 175.69 0.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.7 pt -145.11 -177.06 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.799 0.333 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -60.81 149.52 35.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -56.02 -30.73 57.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -68.35 108.96 3.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.861 0.362 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.41 109.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.3 t -145.49 166.97 24.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.6 p -173.53 169.85 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.34 152.71 24.1 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -162.58 174.71 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.386 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -136.52 167.24 21.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -158.58 157.63 28.56 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.5 p -171.95 125.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.84 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.6 t -142.68 151.75 41.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.99 150.19 19.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -171.09 113.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 m -108.74 166.14 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -118.2 159.65 14.18 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 137.52 35.45 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 69.8 p -117.83 151.7 49.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.708 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 139.36 40.19 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.398 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -80.74 82.63 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.6 t -99.91 137.72 37.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -113.97 21.5 14.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.34 141.78 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p -162.93 139.0 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -115.91 121.35 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -102.52 117.38 34.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -111.52 146.49 37.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -88.02 117.36 26.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 170' ' ' CYS . 31.4 m -151.6 174.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -111.43 162.91 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -123.99 103.26 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.565 HD13 HG12 ' A' ' 167' ' ' VAL . 7.3 mp -67.04 -50.66 61.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 151.51 176.79 24.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.519 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 166' ' ' HIS . 17.8 ttp -83.8 126.47 32.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HB2' HD11 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -132.14 113.2 14.65 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.536 0.684 . . . . 0.0 110.916 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 144.75 54.95 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.472 ' HB ' ' CG2' ' A' ' 91' ' ' THR . 14.3 m -115.33 163.01 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.75 -38.38 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.39 150.32 51.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -27.39 26.81 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 142' ' ' PHE . 34.7 m -130.03 172.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.08 142.68 9.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 88.1 mmm -77.37 -60.57 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -38.12 -46.39 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 83' ' ' VAL . 94.4 m -66.64 -45.26 79.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.154 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.22 -56.43 18.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.512 ' HA ' HD12 ' A' ' 96' ' ' ILE . 52.0 m-20 -53.66 -44.41 69.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.6 t -47.52 -48.87 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.49 -49.69 66.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.619 ' HA ' HG21 ' A' ' 167' ' ' VAL . 82.0 mt -44.22 -53.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.536 ' O ' HG22 ' A' ' 101' ' ' THR . 10.6 mm-40 -60.76 -47.35 86.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -44.83 -43.34 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 81' ' ' LEU . 25.9 mt -82.42 -48.73 10.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 6.9 mtt -43.63 -41.62 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 97' ' ' GLU . 10.1 t -80.14 -29.26 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.5 t -68.16 -50.55 53.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 p -118.59 166.06 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.447 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 41.7 m -90.95 162.58 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -56.53 -37.39 70.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -76.47 -45.5 30.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -40.3 -41.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.4 m0 -55.39 114.91 8.04 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.597 0.713 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.623 ' O ' HG13 ' A' ' 111' ' ' VAL . 54.0 Cg_endo -69.7 116.38 4.53 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.4 m -48.43 109.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 109' ' ' PRO . 31.1 m -111.86 170.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 125' ' ' GLU . 97.2 m-20 -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 28.6 tpp -85.41 104.71 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -93.55 97.75 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 76.8 t -101.84 121.68 53.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.81 144.44 16.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 8.0 t70 43.22 43.87 4.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.597 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 58.34 40.47 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.5 m -132.66 113.89 13.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.9 t -89.61 106.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.641 ' CG2' HG23 ' A' ' 131' ' ' VAL . 18.4 m -120.2 121.0 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 96.8 t -84.28 100.38 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 131' ' ' VAL . 32.8 mm -98.44 136.66 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.3 t -51.54 154.49 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.454 ' HA ' ' ND2' ' A' ' 112' ' ' ASN . 9.1 tt0 -51.96 -48.64 64.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 127' ' ' ASN . 12.0 tptm -100.92 -68.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.425 ' N ' ' HG3' ' A' ' 126' ' ' LYS . 86.4 m-20 -49.55 118.15 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -87.52 -32.7 19.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.13 41.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 131' ' ' VAL . 6.5 tp10 -104.45 -29.63 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.641 HG23 ' CG2' ' A' ' 121' ' ' THR . 8.3 p 28.81 46.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 131' ' ' VAL . 81.9 mt -34.04 -47.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.9 t -138.22 134.99 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -119.09 107.15 13.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.4 t -122.03 143.87 49.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 137' ' ' VAL . 57.4 mtp85 -121.02 122.11 39.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 136' ' ' ARG . 87.6 t -36.21 -51.29 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -44.65 -45.75 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.05 -38.63 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.475 HD23 ' N ' ' A' ' 141' ' ' SER . 6.0 tt -46.96 134.98 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.475 ' N ' HD23 ' A' ' 140' ' ' LEU . 58.1 p -106.01 -45.23 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.615 ' HB2' HG12 ' A' ' 87' ' ' VAL . 81.3 t80 -155.91 160.75 40.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.433 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 8.9 ptt? -160.9 151.32 17.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -163.07 -172.53 30.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.556 HG23 ' HG2' ' A' ' 22' ' ' GLN . 22.5 m -115.95 152.4 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 111.147 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.418 ' HA3' ' CD1' ' A' ' 96' ' ' ILE . . . -78.44 -175.8 46.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.14 -26.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.88 119.16 31.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.539 ' HB ' HD13 ' A' ' 18' ' ' LEU . 29.2 m -37.89 -41.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.451 ' N ' HG23 ' A' ' 149' ' ' VAL . 71.9 m80 -43.18 -46.68 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.414 ' CG2' ' CZ3' ' A' ' 169' ' ' TRP . 52.2 p -80.16 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -129.52 112.85 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 167' ' ' VAL . . . -119.38 157.43 28.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.486 ' CE2' ' CE1' ' A' ' 168' ' ' PHE . 7.3 p90 -145.84 143.98 29.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.499 HD12 ' HD2' ' A' ' 142' ' ' PHE . 54.6 mt -97.22 133.28 39.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 11.3 ptm -136.89 166.72 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -108.32 128.17 54.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 81.8 p -104.0 -21.02 13.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 140.05 166.09 10.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.71 32.63 20.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 56.58 31.65 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.412 ' HA ' ' NE ' ' A' ' 162' ' ' ARG . 12.5 mmp_? -97.86 146.63 25.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -126.03 115.97 20.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -109.22 156.64 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 10.7 t -123.32 117.26 24.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.577 ' CE1' ' HG3' ' A' ' 80' ' ' MET . 94.0 m-70 -100.46 120.81 40.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.619 HG21 ' HA ' ' A' ' 96' ' ' ILE . 72.0 t -92.66 147.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 166' ' ' HIS . 82.9 m-85 -150.05 134.79 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.414 ' CZ3' ' CG2' ' A' ' 151' ' ' THR . 44.7 t-105 -89.9 124.86 35.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.472 ' HA ' HG12 ' A' ' 75' ' ' VAL . 97.2 m -109.18 155.07 21.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.541 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 37.9 mt-10 -148.21 136.7 11.47 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.616 0.722 . . . . 0.0 110.946 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.77 -47.6 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.367 0.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -124.83 157.0 36.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.36 42.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.57 -55.66 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -64.75 -39.06 92.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.63 ' O ' HG12 ' A' ' 181' ' ' VAL . 69.8 t -67.52 -52.97 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 57.5 p -60.33 -32.75 71.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -75.16 -49.19 20.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -56.9 -57.32 13.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 177' ' ' VAL . 8.5 p -55.17 -39.96 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 26' ' ' TYR . 17.0 tt0 -56.92 -57.96 10.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -39.01 -48.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -43.47 -42.85 5.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 77.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -127.21 133.12 50.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.81 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.9 p -71.56 154.16 41.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.35 167.52 16.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -107.19 124.24 49.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.892 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -130.88 146.61 52.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.798 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.72 72.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -102.38 165.15 11.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.811 0.338 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.2 61.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.72 128.29 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.8 p -83.6 141.51 14.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -81.47 149.86 65.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 111.1 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -13.28 34.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -89.08 -43.73 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -57.41 -52.27 66.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -44.23 -63.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -40.04 -43.5 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 175' ' ' ALA . 18.4 mt -69.8 -53.81 16.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -37.85 -45.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -60.92 -44.83 96.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 18' ' ' LEU . 20.2 mtt -55.37 -36.47 66.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.34 -49.36 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.58 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -129.03 -32.42 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.08 -163.43 12.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 50.2 t80 -129.24 95.15 3.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.846 0.355 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.89 152.6 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.412 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 11.0 t-20 -99.23 111.36 60.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' THR . 53.4 Cg_endo -69.79 -45.51 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.614 2.209 . . . . 0.0 112.337 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' PRO . 26.7 m -36.4 -44.61 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -68.16 -54.24 19.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.63 46.51 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -101.56 -48.61 4.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.83 42.85 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 2.7 pp20? -88.7 42.85 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.1 94.09 3.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.6 mtp -41.92 100.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -83.66 92.19 7.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -62.79 100.37 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.8 m -74.59 84.99 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.99 170.44 44.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 139.87 41.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -117.37 175.71 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.8 m -110.86 138.18 47.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.72 57.27 0.59 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.7 mm -113.31 118.43 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 111.084 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -112.96 144.08 43.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.05 -56.48 2.31 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -162.57 162.94 27.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.41 -121.5 6.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.546 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.6 m 55.57 42.51 29.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.1 m -97.27 92.82 6.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -179.42 162.72 29.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 p -129.23 173.6 10.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.1 p -156.96 175.08 14.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.13 171.86 44.87 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 15.7 t -109.79 156.06 20.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.836 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.5 t -116.07 42.5 2.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.03 -170.53 11.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.2 m -156.08 139.5 15.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.2 p -120.95 157.86 28.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -135.87 145.02 17.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 90.78 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.322 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.4 p -60.51 143.76 89.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.569 0.7 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 137.79 36.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.379 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -75.96 142.43 41.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 m -140.23 141.45 35.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -121.91 -5.69 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.502 HD23 ' H ' ' A' ' 69' ' ' LEU . 2.0 pt? -117.6 154.36 31.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 116' ' ' ALA . 2.5 p -160.32 139.92 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -96.78 117.97 32.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -109.71 117.97 35.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -110.74 151.56 27.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 74' ' ' ARG . 0.7 OUTLIER -97.39 123.82 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -152.58 179.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -118.53 155.59 30.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -109.21 111.4 22.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.35 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.595 ' HA3' HD22 ' A' ' 99' ' ' LEU . . . 168.34 176.45 38.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.621 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 2.8 tpt -98.29 104.16 16.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.612 HD21 ' ND2' ' A' ' 98' ' ' ASN . 0.5 OUTLIER -113.78 115.12 46.49 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.645 0.735 . . . . 0.0 110.936 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 144.04 53.16 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG1' HG22 ' A' ' 91' ' ' THR . 0.3 OUTLIER -108.47 175.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -102.59 -28.39 12.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' H ' HG21 ' A' ' 91' ' ' THR . 81.7 mtt180 -124.26 150.19 63.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.38 29.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.235 . . . . 0.0 112.379 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.728 HG12 ' HB2' ' A' ' 142' ' ' PHE . 15.1 m -138.07 170.58 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.31 143.8 10.29 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.491 ' HE3' ' HA3' ' A' ' 144' ' ' GLY . 4.3 mmt -80.14 -57.44 3.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -38.94 -36.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.46 HG21 ' H ' ' A' ' 85' ' ' ARG . 86.1 m -80.11 -48.93 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 153' ' ' ALA . 10.3 tt -58.14 -54.85 42.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' SER . 2.6 m-80 -49.41 -52.83 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' ASN . 33.3 t -36.33 -46.12 0.51 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.557 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -59.63 -53.28 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.566 ' HA ' HG21 ' A' ' 167' ' ' VAL . 97.4 mt -45.08 -58.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.77 -46.62 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.665 ' O ' HG22 ' A' ' 101' ' ' THR . 8.2 t-20 -44.7 -68.28 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.595 HD22 ' HA3' ' A' ' 79' ' ' GLY . 12.3 mt -59.31 -40.83 87.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.1 mtt -49.52 -40.98 39.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 98' ' ' ASN . 13.6 t -86.94 -17.35 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.15 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.2 t -76.2 -44.26 38.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.1 m -126.09 -176.36 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.9 m -108.7 165.28 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.43 ' HA ' ' CZ3' ' A' ' 108' ' ' TRP . 33.8 tttm -57.19 -43.76 83.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.25 -40.12 71.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -48.0 -38.0 16.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.43 ' CZ3' ' HA ' ' A' ' 105' ' ' LYS . 6.5 m0 -59.55 119.72 42.53 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.54 0.686 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 134.77 28.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -63.78 118.12 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 m -126.64 173.63 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -129.7 137.71 50.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.409 ' HG2' HG23 ' A' ' 115' ' ' VAL . 40.7 ttm -88.27 101.01 13.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.402 ' OD1' HG21 ' A' ' 70' ' ' VAL . 27.9 t30 -82.73 95.92 8.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.409 HG23 ' HG2' ' A' ' 113' ' ' MET . 93.5 t -98.65 100.42 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.562 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -144.86 125.54 14.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.9 t70 62.4 49.5 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.554 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 50.93 37.68 18.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.4 m -127.62 114.85 17.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.8 t -93.45 102.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.559 ' CG2' HG23 ' A' ' 131' ' ' VAL . 62.8 m -117.95 126.09 51.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.515 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 91.1 t -88.53 98.13 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 131' ' ' VAL . 15.4 mm -94.65 131.9 40.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.1 t -60.25 133.75 56.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.99 -46.08 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -69.26 -70.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -86.28 136.6 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -91.43 -28.19 17.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -95.81 40.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 131' ' ' VAL . 3.4 tp10 -105.33 -30.92 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.559 HG23 ' CG2' ' A' ' 121' ' ' THR . 14.8 p 32.55 48.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 131' ' ' VAL . 47.4 mt -33.23 -46.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 71.3 t -141.45 134.6 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -118.48 101.14 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.7 t -115.54 147.75 40.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -124.05 127.81 48.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 140' ' ' LEU . 89.5 t -43.75 -51.34 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -44.16 -43.13 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.27 -22.14 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 137' ' ' VAL . 1.7 tt -55.09 126.18 23.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 56.3 p -99.48 -37.88 9.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.728 ' HB2' HG12 ' A' ' 87' ' ' VAL . 44.1 t80 -161.76 156.51 22.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.404 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 1.5 ptt? -155.43 147.52 23.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.491 ' HA3' ' HE3' ' A' ' 89' ' ' MET . . . -165.43 -172.66 33.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.461 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 6.0 m -118.67 160.11 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -92.51 -174.38 41.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 146' ' ' GLY . 52.7 mttm -35.35 -46.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -105.5 127.14 52.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 18.8 m -53.05 -20.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 69.1 m80 -58.81 -36.77 75.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.566 HG22 ' CE3' ' A' ' 169' ' ' TRP . 72.3 p -91.78 129.83 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -129.57 113.96 15.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.572 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -119.9 146.55 45.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -132.73 138.59 47.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.467 HD12 ' HD2' ' A' ' 142' ' ' PHE . 87.5 mt -95.86 120.74 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 12.3 ptm -116.54 157.26 25.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -105.22 113.15 26.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 73.7 p -77.91 -57.6 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 170.25 160.71 19.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 63.09 39.02 10.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 60.76 33.69 20.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -91.97 153.27 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -133.64 118.39 18.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.433 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 15.5 mm-40 -116.79 143.21 45.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.529 ' N ' ' HE1' ' A' ' 80' ' ' MET . 2.4 t -122.82 115.92 22.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.621 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 78.6 m-70 -106.47 114.32 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.566 HG21 ' HA ' ' A' ' 96' ' ' ILE . 23.5 t -87.5 152.0 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.541 ' CE2' ' HB3' ' A' ' 166' ' ' HIS . 83.6 m-85 -154.01 133.47 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.566 ' CE3' HG22 ' A' ' 151' ' ' THR . 44.0 t-105 -85.83 142.65 28.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 64.8 m -127.26 153.09 46.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.51 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 25.2 mt-10 -139.73 132.07 15.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.678 0.752 . . . . 0.0 110.883 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.4 Cg_endo -69.72 -48.29 0.28 Allowed 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.361 -0.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.08 167.09 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -90.13 45.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.066 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.659 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -86.82 -49.04 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -69.58 -38.5 77.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.24 -56.19 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.7 p -58.3 -26.42 63.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -77.58 -45.58 24.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -60.5 -54.67 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.9 p -60.52 -24.99 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.553 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 32.5 tt0 -75.67 -42.78 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.14 83.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.554 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -52.56 -38.93 60.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -138.21 114.5 10.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -103.38 162.42 13.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.83 -119.05 3.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -105.71 115.83 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -125.42 60.4 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.29 -75.12 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -119.67 134.04 55.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.15 114.34 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.1 140.14 39.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 p -88.99 147.25 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -71.02 152.03 94.91 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.547 0.689 . . . . 0.0 111.169 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -12.7 33.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -92.46 -33.47 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -71.79 -61.76 1.67 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 17' ' ' HIS . 9.0 ptp180 -44.48 -39.07 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.426 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 2.9 t60 -61.52 -35.37 77.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.551 HD13 ' HB ' ' A' ' 149' ' ' VAL . 13.3 mt -77.82 -37.33 48.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 m -49.75 -44.39 48.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' CD ' ' O ' ' A' ' 16' ' ' ARG . 0.2 OUTLIER -63.4 -44.07 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 mmt -50.43 -19.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.429 ' HG3' ' CG2' ' A' ' 145' ' ' VAL . 79.6 mt-30 -89.77 -40.66 12.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -44.55 -71.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -117.83 -36.89 3.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -165.0 13.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.511 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 182' ' ' GLN . 6.0 t80 -119.38 103.54 9.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -86.59 156.74 19.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 30' ' ' THR . 36.2 t-20 -99.09 115.81 65.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -31.95 19.58 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.47 ' N ' ' OD1' ' A' ' 28' ' ' ASN . 3.3 m -74.01 -1.35 19.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -101.36 -21.73 14.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -95.32 -30.47 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 34' ' ' PHE . 34.2 t80 -48.67 -70.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 33' ' ' PHE . 12.6 t80 -37.76 -39.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -91.71 58.55 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -63.4 139.38 58.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -131.35 146.2 52.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -167.47 147.34 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -119.24 130.14 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.2 m -133.98 149.16 51.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -41.81 144.7 0.81 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' SER . 53.9 Cg_endo -69.76 154.91 67.17 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 42' ' ' PRO . 34.5 p 34.47 53.15 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.7 p -47.37 111.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.52 -128.45 8.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.419 ' O ' HD12 ' A' ' 46' ' ' ILE . 2.8 pp -126.37 19.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.11 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.3 114.27 7.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.74 -168.68 5.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.4 mtm-85 -54.83 114.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -150.13 122.62 1.43 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.4 t -104.94 147.84 27.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.8 p -143.29 137.7 29.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.9 130.14 1.32 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -163.58 158.42 20.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.3 m -128.46 166.65 18.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.43 140.13 2.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 79.4 p -173.06 137.61 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -138.56 141.03 39.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 149.14 105.15 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.7 t -74.89 73.18 2.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.4 p -108.39 172.1 7.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 171.77 -175.22 45.22 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 142.2 47.34 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.43 121.2 54.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 111.183 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 165.62 30.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mttm 44.12 51.69 7.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 30.8 p -48.55 130.99 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -94.0 1.28 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.8 mt -136.84 147.36 46.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.748 HG23 ' HB2' ' A' ' 116' ' ' ALA . 5.5 p -174.11 136.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.619 ' NE2' ' HB1' ' A' ' 180' ' ' ALA . 19.3 mt-30 -103.37 126.21 50.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -120.26 111.12 17.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -110.18 157.34 19.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -97.92 128.58 44.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.3 m -156.02 -176.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -121.57 159.56 26.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -114.66 108.76 17.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HG ' ' CE2' ' A' ' 108' ' ' TRP . 5.6 mp -73.68 -43.45 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 150.91 -175.5 29.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.477 ' HG2' ' CE1' ' A' ' 166' ' ' HIS . 7.7 tmm? -109.43 113.57 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.457 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.5 OUTLIER -105.5 116.72 59.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 130.61 19.65 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.43 161.55 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -101.23 -23.78 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -104.48 130.18 23.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -16.31 37.59 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.745 2.297 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.697 HG12 ' CB ' ' A' ' 142' ' ' PHE . 25.0 m -146.14 -175.93 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 108.28 143.82 10.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.1 mmt -86.03 -9.54 56.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -88.69 -45.3 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.2 m -69.58 -30.65 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.3 tt -78.14 -47.41 18.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -65.95 -30.06 70.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -66.83 -33.23 75.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -68.83 -51.39 41.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 56.1 mt -42.66 -66.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.8 -36.21 64.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.412 ' O ' HG22 ' A' ' 101' ' ' THR . 15.6 t-20 -55.46 -47.23 76.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 62.1 mt -79.38 -37.31 37.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.966 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.2 mtt -47.53 -36.51 10.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 98' ' ' ASN . 1.5 t -86.83 -19.87 28.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.118 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -72.31 -43.16 64.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.5 m -133.97 155.52 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.465 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 9.8 m -86.66 164.18 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 108' ' ' TRP . 40.3 tttm -54.84 -33.58 61.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.46 -37.41 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -57.68 -36.62 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.47 ' CE2' ' HG ' ' A' ' 78' ' ' LEU . 4.8 m0 -62.24 113.85 9.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.705 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.74 127.82 15.15 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -61.48 110.52 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 31.1 m -112.93 171.48 3.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -121.33 135.06 55.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 8.4 ttm -89.91 105.34 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -90.69 97.31 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.3 t -101.54 105.36 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.748 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -145.94 143.25 29.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 t70 48.75 39.32 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.4 45.1 14.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.1 m -136.84 115.71 12.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.135 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.94 98.74 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.4 m -117.59 113.64 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.468 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 24.6 t -81.87 105.06 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.25 143.35 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.8 t -74.3 143.31 45.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -61.69 -56.84 15.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -51.02 -70.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -99.66 148.52 24.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -95.63 -15.98 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -103.61 42.48 1.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -108.29 -31.66 7.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.701 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.4 p 38.15 49.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 131' ' ' VAL . 63.4 mt -34.66 -39.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.1 t -146.34 130.18 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -120.07 102.84 8.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 48.7 t -122.71 147.63 46.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -118.91 133.86 55.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.448 HG11 ' HA ' ' A' ' 185' ' ' CYS . 84.8 t -53.54 -35.91 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -59.14 -36.1 74.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -87.15 -23.77 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.1 tt -54.38 131.64 42.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.0 t -96.37 -69.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.697 ' CB ' HG12 ' A' ' 87' ' ' VAL . 60.2 t80 -137.74 148.1 45.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -148.52 158.06 43.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -172.85 -168.76 34.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.429 ' CG2' ' HG3' ' A' ' 22' ' ' GLN . 2.5 m -116.72 151.77 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -82.68 -170.18 45.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -44.74 -38.8 4.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -106.22 127.31 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.614 ' O ' ' HB3' ' A' ' 174' ' ' ALA . 20.1 m -52.37 -17.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 47.1 m80 -70.12 -31.61 69.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 43.5 p -87.23 123.88 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.565 ' CZ ' HG11 ' A' ' 181' ' ' VAL . 8.7 t80 -128.02 119.16 24.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -126.32 164.93 19.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 5.7 p90 -158.95 140.27 13.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 59.3 mt -95.48 140.08 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 9.7 ptm -133.61 166.21 23.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -111.69 116.79 31.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 29.2 p -90.33 -52.58 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 170.3 168.71 32.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.532 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 60.9 25.11 15.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.308 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 65.65 35.32 7.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -100.74 160.07 14.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -138.31 122.33 17.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -107.84 141.92 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . . . . . . . . . 8.1 t -110.24 107.88 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.477 ' CE1' ' HG2' ' A' ' 80' ' ' MET . 83.6 m-70 -99.04 130.72 45.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 168' ' ' PHE . 23.8 t -108.01 154.73 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.468 ' CZ ' HG21 ' A' ' 122' ' ' VAL . 92.2 m-85 -154.18 139.16 17.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -96.2 126.36 41.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 3.8 m -114.35 147.6 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.555 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 19.0 mt-10 -139.97 140.66 24.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 53.8 Cg_endo -69.71 -45.96 0.39 Allowed 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.366 -0.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -120.23 155.52 33.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 149' ' ' VAL . . . -83.38 35.38 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.0 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -56.05 -20.93 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 181' ' ' VAL . 73.8 t -92.3 -49.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 22.9 t -67.38 -23.39 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -83.08 -40.85 19.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . 0.619 ' HB1' ' NE2' ' A' ' 71' ' ' GLN . . . -69.7 -45.8 67.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 152' ' ' PHE . 12.2 p -60.96 -43.85 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 26' ' ' TYR . 8.0 pt20 -74.07 -14.2 60.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -78.88 -29.52 44.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -70.36 -39.05 74.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . 0.448 ' HA ' HG11 ' A' ' 137' ' ' VAL . 58.8 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 t -89.79 128.82 36.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -109.15 98.36 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.04 105.03 0.9 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.536 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.2 p -126.15 171.1 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -89.64 173.52 8.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.78 73.26 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.7 169.14 10.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.52 13.24 17.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.94 119.93 25.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG22 ' N ' ' A' ' 12' ' ' THR . 11.8 p -102.03 158.12 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.459 ' N ' HG22 ' A' ' 11' ' ' VAL . 1.7 p -87.89 152.49 51.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -10.28 28.2 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.375 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -89.06 -59.63 2.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -46.71 -43.13 17.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -38.34 -48.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.532 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 0.6 OUTLIER -67.15 -35.62 80.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD13 ' HB ' ' A' ' 149' ' ' VAL . 20.0 mt -68.76 -33.17 73.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 m -50.92 -59.02 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -48.68 -31.93 7.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 mmt -75.23 -33.73 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.451 ' HG2' ' CG2' ' A' ' 145' ' ' VAL . 9.0 mt-30 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -52.59 -75.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -122.11 -28.0 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.4 -143.47 16.48 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 182' ' ' GLN . 51.1 t80 -150.06 106.88 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.87 157.3 28.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -96.99 107.18 35.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.728 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 31' ' ' TYR . 54.3 Cg_endo -69.72 -48.87 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' PRO . 18.1 m -36.31 -30.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -81.76 -58.68 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -50.18 -49.77 51.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -48.07 -42.25 28.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -66.31 -50.42 63.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -46.92 -56.52 6.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -91.01 119.93 31.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.96 72.53 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -56.6 129.05 39.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -74.87 114.26 13.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.6 t -100.21 120.57 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.59 70.02 0.9 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.77 3.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.357 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 p -45.6 123.8 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 p -144.44 131.05 20.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.27 89.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.448 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.5 pt -145.47 141.75 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -138.18 150.4 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.82 -178.71 42.53 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -130.08 119.3 22.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 124.51 87.64 0.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.7 m -148.27 155.99 42.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -156.87 117.47 3.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.32 150.83 49.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.9 m -124.34 118.64 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.92 0.39 . . . . 0.0 110.875 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -151.89 107.16 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.01 161.76 53.48 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.4 m -95.19 122.92 38.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 t -157.11 119.84 3.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.9 -78.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 t 41.09 41.61 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -94.27 136.21 34.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -161.6 -154.93 7.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.532 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 127.1 14.13 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.73 2.287 . . . . 0.0 112.343 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.2 p -98.95 144.37 28.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.625 0.726 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 53.8 Cg_endo -69.78 -176.07 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.323 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' PRO . 33.0 mtmt 34.23 38.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 69' ' ' LEU . 4.1 m -36.99 139.27 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.4 2.83 6.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.414 ' H ' HG22 ' A' ' 67' ' ' THR . 74.3 mt -124.05 148.23 47.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.942 HG23 ' HB2' ' A' ' 116' ' ' ALA . 13.4 p -171.75 146.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -109.64 131.46 55.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.17 113.27 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -107.58 154.14 21.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 75' ' ' VAL . 1.4 tmm_? -98.78 127.49 44.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 74' ' ' ARG . 35.7 m -160.52 168.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -106.8 161.78 14.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -114.54 109.78 18.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.5 mp -69.84 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.425 ' N ' HD13 ' A' ' 99' ' ' LEU . . . 170.02 177.45 40.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.626 ' SD ' ' CE1' ' A' ' 166' ' ' HIS . 3.5 tpt -97.26 102.89 14.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -111.21 113.83 53.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.949 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 149.06 66.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.2 m -122.19 169.09 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -102.03 -25.06 13.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -117.88 141.57 29.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -25.18 29.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.74 HG12 ' HB2' ' A' ' 142' ' ' PHE . 17.2 m -137.49 175.61 9.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 111.91 153.12 12.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.3 mmt -94.18 -34.8 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.32 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.68 -29.01 69.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 27.2 m -85.58 -47.07 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 153' ' ' ALA . 9.1 tt -61.63 -46.5 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -61.09 -33.41 73.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -65.44 -41.36 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 81' ' ' LEU . . . -63.12 -35.11 79.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' HA ' HG21 ' A' ' 167' ' ' VAL . 21.7 mt -59.53 -59.34 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -56.88 -40.78 76.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -50.49 -47.13 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 102' ' ' SER . 98.8 mt -79.13 -47.28 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.7 mmt -40.64 -41.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.4 t -84.83 -27.15 26.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 99' ' ' LEU . 3.3 t -59.2 -47.31 85.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.5 p -133.14 161.17 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -78.08 159.27 28.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.516 ' HA ' ' CE2' ' A' ' 108' ' ' TRP . 59.1 tttt -52.93 -33.61 51.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -77.54 -42.25 36.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -44.71 -33.7 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.516 ' CE2' ' HA ' ' A' ' 105' ' ' LYS . 6.2 m0 -61.49 112.69 6.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.576 0.703 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.599 ' O ' HG13 ' A' ' 111' ' ' VAL . 53.5 Cg_endo -69.67 120.59 7.37 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 0.0 112.36 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -53.48 119.08 4.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.817 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 109' ' ' PRO . 21.8 m -120.2 -175.05 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -136.4 136.59 39.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.0 ttm -92.32 100.21 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -87.26 96.64 10.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 86.9 t -96.91 100.45 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.942 ' HB2' HG23 ' A' ' 70' ' ' VAL . . . -140.53 133.97 29.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 t70 52.79 45.58 28.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.495 ' HA ' ' HB1' ' A' ' 184' ' ' ALA . . . 54.07 44.08 29.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 62.7 m -132.78 114.46 14.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 64.7 t -89.59 106.39 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 45.9 m -121.57 125.68 47.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 168' ' ' PHE . 77.5 t -88.0 102.14 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.17 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.4 mm -96.75 136.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.5 t -67.77 146.64 53.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -68.31 -42.88 78.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -68.65 -54.06 18.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -106.36 138.02 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -91.44 -23.43 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -103.54 40.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -100.05 -33.67 10.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.71 ' O ' HG22 ' A' ' 131' ' ' VAL . 7.1 p 39.08 46.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 131' ' ' VAL . 38.8 mt -34.04 -51.61 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.38 139.03 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -124.81 103.33 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 8.4 t -117.6 151.06 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -124.01 127.13 47.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 79.1 t -43.29 -41.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -53.56 -41.17 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -79.92 -18.14 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.16 124.26 20.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.8 t -97.04 -46.11 6.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.74 ' HB2' HG12 ' A' ' 87' ' ' VAL . 20.1 t80 -157.58 158.42 35.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' MET . . . . . 0.454 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.8 OUTLIER -156.86 157.37 34.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.66 -177.98 44.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 22' ' ' GLN . 8.2 m -108.31 166.51 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 111.127 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 147' ' ' LYS . . . -103.89 -162.8 24.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 146' ' ' GLY . 25.1 mmtp -37.35 -59.08 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -98.84 122.98 42.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.489 ' HB ' HD13 ' A' ' 18' ' ' LEU . 35.1 m -43.91 -29.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.481 ' CD2' ' O ' ' A' ' 172' ' ' PRO . 59.3 m80 -50.96 -41.37 59.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 73.1 p -77.2 132.76 38.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -133.09 113.92 13.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . 0.669 ' HB3' HD21 ' A' ' 92' ' ' LEU . . . -123.53 147.86 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.407 ' O ' ' CD1' ' A' ' 154' ' ' PHE . 7.2 p90 -135.69 146.12 47.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 46.5 mt -102.25 114.22 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -110.4 166.65 10.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -116.57 138.09 51.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.4 p -106.51 -50.88 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.184 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 166.89 156.4 9.67 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 4.4 m120 61.41 41.61 12.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 61.15 35.16 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -91.16 142.29 27.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -129.8 121.65 27.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLU . . . . . 0.499 ' HB3' ' HE1' ' A' ' 80' ' ' MET . 5.8 mm-40 -115.95 142.93 46.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' CYS . . . . . 0.545 ' N ' ' HE1' ' A' ' 80' ' ' MET . 10.7 t -122.68 123.35 40.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.626 ' CE1' ' SD ' ' A' ' 80' ' ' MET . 88.6 m-70 -115.45 113.92 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.459 HG21 ' HA ' ' A' ' 96' ' ' ILE . 6.0 t -89.55 138.54 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 166' ' ' HIS . 61.6 m-85 -138.74 144.82 39.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -96.07 133.71 39.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 82.6 m -115.91 163.41 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 172' ' ' PRO . 20.5 mt-10 -153.5 133.63 7.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 171' ' ' GLU . 54.0 Cg_endo -69.72 -47.72 0.3 Allowed 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.363 -0.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -121.16 169.9 10.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -93.51 29.67 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -80.86 -37.65 29.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.2 -41.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 28.9 p -66.1 -30.12 70.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.53 -31.89 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -74.66 -34.36 62.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 11.1 p -81.02 -34.89 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.424 ' HG3' ' CE2' ' A' ' 26' ' ' TYR . 36.1 tt0 -66.56 -37.19 84.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -54.28 -51.42 64.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.495 ' HB1' ' HA ' ' A' ' 118' ' ' ALA . . . -46.02 -48.37 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.907 . . . . . . . . 0 0 . 1 stop_ save_