data_2rso_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 2rso _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 ' 82' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.837 0.351 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.2 t -69.57 114.32 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -82.46 -52.93 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.41 174.96 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.3 t -77.44 141.23 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 -49.24 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -154.83 164.22 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -117.55 138.89 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -145.81 137.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.9 mtp -84.65 150.95 24.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.935 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -107.1 152.52 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -127.48 146.53 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -145.83 136.75 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.74 142.45 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.59 125.22 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -98.36 119.67 37.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -74.6 133.3 42.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.12 122.98 16.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.62 -33.03 5.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -103.55 124.69 49.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -110.34 96.52 6.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.65 159.2 47.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.02 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -68.24 -9.34 46.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.78 16.05 7.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -59.64 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.67 120.96 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -90.13 119.09 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 140.82 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.0 p -75.93 169.48 18.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -55.17 -27.15 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.05 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.5 -20.74 64.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.4 -32.73 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -70.42 -22.63 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -96.02 -41.83 3.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 59.7 m -113.22 39.3 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -50.21 -47.96 54.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.97 -37.06 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 25.3 mt -73.03 -49.1 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.9 mm -51.69 -45.27 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.88 -39.53 56.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.96 -47.0 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -55.47 -36.39 66.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -75.54 -39.45 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -61.09 -41.61 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -27.12 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -76.07 -33.42 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.868 0.366 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.1 t -62.28 115.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.09 -52.23 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.66 175.15 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.71 143.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.26 -36.96 9.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -168.15 162.9 13.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -117.65 138.89 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -140.49 144.06 35.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 ttm -89.5 109.61 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -130.77 157.76 41.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -130.8 144.42 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -146.21 134.11 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.78 142.35 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.23 127.83 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -98.86 145.54 26.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -98.29 134.53 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.72 121.59 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.65 -32.73 5.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -103.43 124.69 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.919 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -106.77 96.78 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.18 158.9 48.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -4.93 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -89.24 15.95 8.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -171.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.0 t -85.57 126.63 34.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -93.51 117.04 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.5 p -99.53 142.73 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -79.2 -178.76 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.53 -25.73 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.96 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.34 -27.11 52.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 63.4 m -59.83 -24.07 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -52.06 -30.99 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.25 -29.86 3.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.81 24.95 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.96 -51.46 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.4 -35.1 37.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.27 -47.89 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.29 -46.24 68.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.15 -39.92 65.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.16 -51.28 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -54.08 -48.62 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -64.8 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.29 -27.15 64.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.38 -29.73 70.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -99.13 25.97 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.879 0.371 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.81 116.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -83.1 -53.11 6.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -169.18 175.07 5.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.8 t -73.65 144.17 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.66 -38.45 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -172.96 152.9 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -117.56 138.71 51.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.79 156.58 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.5 ptm -97.19 154.13 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.051 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.54 151.32 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -138.68 134.94 34.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -118.29 132.96 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.77 142.47 32.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mt -99.06 131.48 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 123.68 47.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -74.2 136.61 42.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -65.3 123.76 20.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.19 5.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.922 0.392 . . . . 0.0 110.928 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.98 96.26 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.57 158.71 48.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -165.35 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -6.07 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -90.62 15.99 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.55 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.2 t -82.05 128.9 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -95.66 116.97 29.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 p -102.62 130.55 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.2 m -54.97 174.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.801 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.74 -32.47 72.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.94 -23.34 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.44 -19.78 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 7.5 p -55.8 -23.7 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.7 t -69.34 -22.06 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -105.12 -19.76 10.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.5 p -126.47 34.49 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -49.89 -52.41 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -51.45 -33.34 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.9 mt -73.68 -46.7 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.37 -43.05 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.86 -39.84 55.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -58.95 -39.93 83.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -70.78 -30.98 67.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -64.74 -29.07 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.41 -27.69 68.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -84.76 -30.15 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.889 0.376 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.1 t -71.36 114.85 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -112.53 -19.29 12.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.02 175.83 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.5 t -109.8 138.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -53.63 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -161.92 171.99 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -124.93 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -134.27 147.27 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.7 mtt -89.7 130.3 35.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -138.46 136.83 36.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -118.78 142.66 47.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -139.23 140.85 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mt -81.77 137.45 35.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.39 128.03 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 130.38 44.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -85.6 131.97 34.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.55 121.27 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.02 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -103.55 124.71 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.08 96.79 6.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.07 158.5 49.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.08 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.1 m -71.84 -6.2 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -89.87 15.91 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.27 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.9 t -87.02 129.8 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -95.48 117.85 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.15 147.25 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.9 t -86.04 -178.75 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -68.03 -17.87 64.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.29 -36.24 81.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -80.48 -26.39 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 t -52.69 -28.5 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -106.49 -22.82 7.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 31.5 m -103.4 25.11 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -50.64 -49.43 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -51.32 -36.04 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.0 mt -72.97 -49.9 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.9 mm -51.78 -44.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -75.98 -39.19 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.14 86.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.61 -37.08 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.65 -39.65 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -55.9 -36.92 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.04 -26.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -74.97 -27.35 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.519 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.884 0.373 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 t -68.72 115.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -82.01 -54.9 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -167.7 174.73 7.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 81.4 t -75.91 138.58 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.14 -37.4 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -166.76 162.07 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -117.53 138.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -146.25 164.59 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 tpp -102.02 120.7 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -102.3 169.73 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.3 134.93 18.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -130.65 140.23 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.85 141.81 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.51 127.83 41.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -100.91 117.98 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -73.53 133.59 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.98 124.62 21.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.08 -33.27 4.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -103.87 124.68 49.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.71 96.03 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.93 159.15 46.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.64 0.734 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.2 m -68.77 -8.77 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.0 16.1 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -59.64 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.97 123.09 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -92.92 118.58 31.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.52 137.28 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.9 p -59.24 178.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.86 -23.46 31.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.28 -19.84 63.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 p -55.33 -24.28 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -72.62 -27.97 62.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.3 -41.86 4.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.87 38.26 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -40.51 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.11 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 22.3 mt -75.22 -44.75 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.0 mm -57.79 -43.42 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.98 -40.67 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.64 -47.86 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.74 -44.18 85.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -68.1 -35.14 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.55 -31.22 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.45 -32.81 74.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.76 -28.59 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.7 p -54.79 116.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -94.32 -48.56 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.74 174.18 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.64 138.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.23 -50.28 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -156.76 164.53 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -117.6 140.59 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -149.94 140.67 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ptm -103.3 136.15 43.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -138.94 155.99 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -139.45 153.22 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -145.63 135.94 23.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mt -81.91 142.47 32.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.03 112.86 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -86.11 127.23 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -78.91 132.59 36.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -61.57 123.6 18.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.14 5.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -103.65 124.7 49.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.48 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.69 158.71 47.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.26 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.643 2.228 . . . . 0.0 112.298 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.59 -6.23 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.7 16.09 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.5 -168.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.9 t -83.63 124.98 31.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -91.4 116.21 28.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.07 147.06 26.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 m -74.51 163.04 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -60.96 -24.23 65.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.05 51.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -19.91 63.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -55.05 -35.02 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -17.1 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.33 -41.9 1.33 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.4 m -108.87 37.19 2.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -50.3 -47.44 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.23 -37.0 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.5 mt -73.06 -48.97 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.6 mm -53.21 -45.81 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.37 -39.53 62.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.05 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.15 -34.9 77.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -72.35 -35.7 68.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.2 -25.84 67.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.85 -25.99 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -85.07 -26.27 27.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.872 0.368 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.3 t -61.31 116.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -79.07 -51.05 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.86 175.26 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.2 t -75.76 144.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.144 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.37 -41.36 8.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -163.19 160.16 23.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -117.48 138.89 51.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 47.9 mmt-85 -150.61 148.55 28.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 ptp -103.42 142.75 33.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.133 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.52 163.73 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.81 143.43 32.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -138.51 138.25 37.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.68 142.46 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.72 140.49 31.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -113.39 147.36 37.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.73 128.49 46.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -63.07 123.85 19.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.69 -32.66 5.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -103.39 124.84 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.926 0.393 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.65 96.62 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 159.09 48.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -165.28 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.4 m -75.0 -3.58 33.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -89.75 16.0 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -55.96 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.1 t -83.81 131.82 34.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -97.55 121.01 38.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -101.0 132.01 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.6 p -67.58 -179.01 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -60.86 -28.59 68.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.3 53.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.38 -21.81 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.59 -39.61 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.8 t -68.67 -27.85 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.96 -41.91 8.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 18.0 p -114.71 41.31 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -49.91 -49.24 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -51.72 -36.98 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.26 -47.82 47.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.2 mm -52.98 -46.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.97 -40.19 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.91 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -54.46 -36.75 64.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -74.54 -35.83 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -62.41 -29.87 70.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.49 65.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -107.62 24.9 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.44 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.817 0.342 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 t -68.06 114.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -111.73 -19.28 12.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.95 175.45 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.96 122.15 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -31.03 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.82 179.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -137.58 138.8 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -143.28 171.15 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 ttp -110.63 141.85 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -133.15 159.66 39.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.91 133.35 26.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.56 178.69 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.13 132.14 56.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 42.5 mt -85.69 144.0 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -123.76 130.1 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -86.97 141.18 28.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.5 126.25 32.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.75 -33.44 4.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.67 124.7 49.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -100.25 95.36 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.12 159.52 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.69 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.43 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -90.87 15.25 11.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -177.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.5 t -85.4 137.88 32.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -104.71 127.59 52.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.5 m -102.55 146.88 27.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.4 m -83.15 -178.7 7.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -64.02 -42.46 97.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.39 -23.54 49.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -20.58 54.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.7 m -62.14 -17.45 57.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.3 t -63.39 -16.27 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.41 -41.81 1.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.59 28.32 5.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -49.58 -47.81 49.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -51.65 -40.45 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.94 -45.97 66.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.8 mm -52.76 -48.04 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -72.42 -38.44 68.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -55.71 -38.47 69.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -69.86 -39.83 76.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -65.98 -28.35 68.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.17 -26.11 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -89.11 -27.52 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.496 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.852 0.358 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 t -66.39 116.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -102.41 -26.17 13.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.76 176.01 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.38 140.01 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.3 -52.08 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -161.43 167.33 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -119.63 139.1 52.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -138.35 142.7 39.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 39.3 ttm -97.64 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -137.66 147.55 45.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -142.03 142.31 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.56 141.8 46.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.99 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.7 mt -89.95 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -108.56 118.29 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -74.02 132.18 42.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.85 124.92 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 -33.41 4.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.96 124.52 49.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.93 95.77 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.17 159.06 45.77 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -9.77 44.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.87 16.55 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.01 -168.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.68 127.59 33.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -97.49 117.21 31.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -109.22 140.13 43.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.7 m -57.36 178.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -73.28 -26.89 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.18 -23.42 35.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.61 -19.7 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 8.0 p -54.8 -24.24 21.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.1 t -74.7 -29.94 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.01 -37.76 9.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.4 p -118.78 42.59 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -49.48 -50.11 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.63 -37.61 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.6 mt -72.24 -46.16 57.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.0 mm -53.83 -46.26 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.65 -39.51 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.69 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -57.73 -33.62 68.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -76.86 -38.06 54.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.24 -44.61 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.15 -26.17 66.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -73.1 -26.21 61.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.858 0.361 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.4 t -68.9 115.44 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -96.67 -52.74 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.62 175.53 10.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.1 t -93.35 140.24 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -49.84 6.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -155.64 165.28 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -117.57 147.03 43.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -145.29 169.83 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.1 ttt -117.49 149.77 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -140.84 145.45 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -107.74 151.98 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -145.55 135.43 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mt -81.59 141.05 34.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.78 133.25 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -104.51 118.91 37.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -73.33 131.42 41.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.95 123.08 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.13 -33.03 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -107.21 96.56 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.25 158.33 49.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -70.72 -7.14 42.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.33 16.08 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.74 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.7 t -85.66 127.04 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -93.69 113.82 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.74 143.64 29.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.814 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.7 t -83.16 -178.63 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.74 -25.08 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.27 -32.82 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -26.31 37.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.59 -38.84 56.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -56.7 -35.32 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.52 16.12 31.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 60.9 m -143.0 19.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -50.15 -53.16 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -50.6 -33.12 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.2 mt -74.05 -48.81 27.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 41.9 mm -53.89 -43.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.96 -40.52 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -52.61 -48.76 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -66.1 -37.02 84.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -57.94 -28.07 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -71.98 -26.68 62.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -26.66 34.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.882 0.372 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.2 t -69.46 115.23 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -88.95 -54.97 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.72 176.05 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.0 t -85.23 129.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -31.43 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -177.18 164.3 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -117.47 139.28 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -155.14 152.95 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.2 ptm -99.21 157.71 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -145.15 162.17 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -144.8 179.3 7.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -147.37 170.56 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.13 136.49 49.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.9 mt -97.91 143.89 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -123.81 124.44 42.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -73.64 140.31 46.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -75.38 128.89 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.58 -34.0 4.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -104.35 124.69 49.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.98 94.48 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.81 159.26 43.59 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.604 0.716 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -166.08 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 -1.24 39.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -96.51 16.0 19.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -168.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.1 t -80.21 134.86 36.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -102.54 140.39 36.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.0 t -118.69 147.08 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.9 m -73.44 -178.71 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -68.84 -25.64 64.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.0 -26.19 59.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.49 -20.37 43.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.68 -36.13 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -68.24 -26.95 65.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -88.91 -41.85 5.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 24.0 m -106.69 33.13 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -50.03 -50.02 48.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -51.27 -36.24 41.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 26.1 mt -73.03 -47.8 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.8 mm -53.08 -44.87 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.92 -39.22 56.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.85 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.069 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -76.79 -36.61 56.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.12 -31.69 61.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.45 -30.87 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -76.23 -27.33 56.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.801 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.8 t -54.9 117.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -96.17 -34.73 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -171.51 175.96 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.8 t -91.3 144.17 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -98.34 -39.67 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.65 158.06 8.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -117.54 139.0 51.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -143.07 142.34 31.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.73 110.75 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -142.22 151.73 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.924 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -138.06 137.09 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -131.45 137.51 48.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.9 136.71 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.78 142.57 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -111.31 145.91 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -101.12 120.48 40.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -51.64 125.74 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.47 -33.81 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -104.39 124.45 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.926 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.56 95.99 6.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 157.92 48.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.84 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 m -69.88 -7.27 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -88.67 16.48 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.5 t -80.55 125.43 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -92.93 114.16 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.8 p -99.61 146.53 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.1 p -89.34 -178.74 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.93 -30.18 23.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.76 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -25.63 38.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 47.3 t -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -71.07 -27.02 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -78.5 -41.7 15.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 19.9 m -119.8 41.49 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -50.48 -44.56 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.8 -41.25 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 14.7 mt -72.4 -45.33 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.75 -47.05 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -76.05 -39.91 54.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.06 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.73 -32.39 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -80.77 -37.96 29.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -53.51 -29.22 35.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -28.43 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -69.9 -26.52 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.88 0.371 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.24 116.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -84.26 -50.43 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -172.36 175.76 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.3 t -80.0 141.6 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -93.57 -49.41 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -156.59 162.78 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -118.67 139.03 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -148.0 147.85 30.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.4 ttm -71.57 147.99 47.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -122.83 157.18 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -128.47 134.95 48.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -136.59 135.2 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.78 142.27 32.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 mt -101.06 136.73 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -103.61 146.37 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -102.54 125.37 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -51.58 120.96 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 94.52 -33.8 5.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.38 124.47 49.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -111.45 96.54 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.38 157.85 49.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -164.51 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.3 -10.81 46.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.1 16.89 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.47 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.65 114.39 19.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 43.4 m95 -83.99 115.49 22.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -107.2 146.91 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.6 t -88.26 -178.77 5.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.45 -24.04 53.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.26 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.77 -23.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.91 -34.1 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -67.47 -19.15 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -101.98 -41.74 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.44 41.92 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -45.53 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.54 -37.5 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 22.5 mt -73.25 -48.84 31.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.1 mm -51.72 -45.5 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.04 -39.71 55.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.13 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -57.73 -36.2 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -77.22 -37.44 53.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.63 -46.93 86.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.11 -24.66 54.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.549 -179.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.826 0.346 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.65 115.81 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.19 -43.34 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -171.86 174.96 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.8 137.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.47 -47.92 7.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -166.96 163.88 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -117.46 152.34 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -159.79 146.74 16.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.4 ttm -74.72 142.59 44.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -141.96 144.46 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -116.17 150.77 36.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -136.78 143.42 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.7 mt -81.63 141.72 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.9 mt -100.02 108.33 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -79.89 126.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.23 143.58 33.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.21 119.07 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.43 -33.26 5.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -103.87 124.69 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -112.78 97.47 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 158.13 51.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -164.55 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -11.72 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.39 16.42 5.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.43 -163.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.77 115.51 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -81.78 118.93 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.06 142.75 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 58.5 m -85.13 175.43 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.98 -25.93 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.53 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.9 -30.41 40.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.5 m -54.74 -26.92 37.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -52.19 -29.77 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.66 -35.59 7.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.7 m -97.15 33.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -48.15 54.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.18 -35.0 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 22.3 mt -74.06 -45.68 47.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.65 -44.51 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.04 -40.13 54.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.59 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.78 -39.11 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -70.91 -33.2 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.77 -35.42 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -29.12 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -76.23 -30.41 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.862 0.363 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.39 115.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.76 -54.95 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -159.87 174.83 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.27 136.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.27 -57.23 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -142.18 165.4 27.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -121.53 162.33 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 -154.61 153.46 31.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.9 ttm -96.99 134.7 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.898 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -151.43 161.14 43.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -117.61 148.27 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -149.84 130.74 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 tp -81.89 136.65 35.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.9 mt -100.46 142.88 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -89.74 142.68 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.81 119.05 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 -31.81 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -102.61 128.56 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.12 98.11 7.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.23 158.86 51.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -6.22 43.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.35 15.21 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.77 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.9 t -80.59 129.77 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -88.34 154.23 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 t -139.74 135.48 33.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 t -89.07 169.6 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.3 -29.89 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.74 53.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.7 -28.3 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.3 m -55.8 -26.07 44.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.8 p -56.08 -26.88 51.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.23 -34.69 11.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.0 m -103.12 34.01 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -50.34 -42.41 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -52.86 -42.43 65.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.47 -44.5 62.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.1 mm -51.72 -48.34 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -75.92 -39.86 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.31 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.01 -44.83 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -69.24 -36.26 77.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.08 -47.34 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.25 -25.98 66.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -81.74 -38.86 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.807 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.87 0.367 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.0 t -63.0 116.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -93.47 -49.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -154.75 141.17 18.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.9 t -69.1 123.91 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -156.38 175.85 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -127.14 162.38 26.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -148.86 161.76 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.9 ttt -99.61 146.19 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.878 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -115.77 154.85 28.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -126.91 146.95 50.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -146.05 129.86 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 tp -81.73 133.71 35.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.7 mt -96.26 140.1 31.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -110.66 128.37 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -73.2 135.3 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.98 119.64 11.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.16 -32.38 5.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -103.13 124.86 49.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.95 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.6 97.78 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.47 158.59 51.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.577 0.703 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -12.0 58.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.21 15.49 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -57.53 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.42 136.81 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -103.62 154.36 19.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.34 144.91 49.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p -90.4 -178.78 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -59.84 -25.98 65.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.11 -36.91 61.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.44 -22.31 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 28.6 t -52.95 -28.79 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.3 t -80.12 -31.63 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -80.2 -41.82 11.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 30.4 p -112.48 34.9 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -50.42 -40.69 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -53.78 -43.27 69.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 34.1 mt -72.55 -43.74 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 41.9 mm -51.73 -50.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.0 -41.23 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.69 -38.48 55.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -65.01 -53.6 43.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -58.74 -37.38 76.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -63.62 -28.6 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -68.32 -29.94 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -80.24 -28.36 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.51 116.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -96.34 -55.06 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -146.07 174.87 10.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.3 t -101.97 121.55 53.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -61.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -154.61 174.03 15.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -123.5 161.41 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -147.15 144.89 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 35.7 mtp -80.0 144.77 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 179.873 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -127.71 162.62 26.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -127.43 147.97 50.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -148.16 133.03 18.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.8 tp -81.69 129.3 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.7 mt -87.16 143.4 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -114.65 124.98 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -74.39 139.84 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 118.92 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.8 -32.23 5.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.86 124.9 49.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.986 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -108.64 97.55 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.64 159.06 50.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -166.16 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.34 -11.56 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.9 15.26 10.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -59.3 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.59 130.02 34.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -100.23 134.11 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.7 t -121.35 144.4 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -68.37 177.57 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.02 -27.21 60.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.7 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -68.1 -19.84 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.2 p -53.61 -25.34 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.0 t -68.21 -32.41 72.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.17 -41.84 4.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 29.1 p -101.92 33.42 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -42.95 53.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.56 -41.05 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.3 mt -72.74 -45.58 57.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.4 mm -51.86 -47.37 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.95 -39.84 55.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.27 -54.33 47.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -61.38 -37.6 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -56.62 -27.71 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.42 -28.03 63.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -78.16 -25.93 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.908 0.385 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.57 115.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.16 174.29 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.2 t -79.43 124.47 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -57.99 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -160.62 169.09 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -118.18 162.68 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -152.65 167.99 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 ptm -116.75 120.54 38.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -149.17 171.07 17.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.872 0.367 . . . . 0.0 110.932 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.44 168.68 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -144.14 128.22 17.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.88 134.02 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.44 141.71 28.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -116.42 140.55 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -93.33 138.78 31.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -72.3 121.43 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.33 -32.23 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -102.93 124.71 48.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -107.94 97.41 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.82 159.08 49.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -67.41 -9.64 43.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -86.94 15.76 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.73 175.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -79.77 127.98 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -94.81 151.34 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 p -130.65 142.18 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.3 m -86.69 179.08 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.8 -30.02 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.83 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.74 -24.48 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 30.4 t -51.94 -32.03 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -80.82 -32.58 35.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -75.08 -39.72 36.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.6 m -104.45 36.37 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -44.32 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -51.92 -41.55 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.53 -44.4 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.3 mm -52.14 -47.94 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.85 -39.95 55.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -56.3 -56.79 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -69.22 -27.51 65.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.18 -31.13 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.81 -29.48 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -88.06 -32.41 18.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.844 0.354 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.79 115.54 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.13 -33.6 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -174.35 175.48 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.4 t -93.1 143.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.53 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -144.91 175.35 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -124.47 139.2 54.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -138.65 154.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.6 mtp -89.85 151.09 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -118.14 137.0 53.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -124.13 133.49 53.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -120.04 147.07 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.77 130.69 35.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.4 mt -93.24 126.09 38.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.63 135.76 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -83.11 130.02 35.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.13 118.99 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 -32.73 5.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -103.26 124.67 49.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -97.72 96.67 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.28 158.95 48.58 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.633 0.73 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -8.88 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.64 16.85 11.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.22 -169.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.8 t -79.73 139.82 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -99.84 148.36 24.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.6 p -129.3 128.76 43.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.801 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 t -85.3 176.72 8.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.31 -29.97 59.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.85 99.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.47 -27.06 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -53.42 -29.01 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.1 t -56.88 -24.9 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.71 -41.15 7.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 28.3 p -107.3 37.36 2.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -50.38 -46.06 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.1 -39.55 59.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 35.4 mt -72.42 -46.01 57.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.9 mm -52.51 -47.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.45 -39.37 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.48 83.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -56.16 -45.56 79.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.2 -42.8 88.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -58.13 -46.24 85.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.59 -29.3 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -80.24 -27.26 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.888 0.375 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.26 115.38 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -82.29 -54.98 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -172.41 174.87 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.2 t -73.89 121.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -77.31 -59.4 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -141.93 175.78 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -136.38 138.99 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -147.31 154.57 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpp -86.52 145.38 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -109.26 167.3 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -145.01 134.63 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -120.36 138.83 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.3 tp -82.42 135.68 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.5 mt -87.15 143.37 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -114.45 147.08 39.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -94.53 132.01 39.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -66.8 118.86 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.39 -32.32 5.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -103.01 124.85 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -100.26 97.73 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.45 158.48 51.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -169.21 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.374 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -7.55 52.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.86 15.16 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -58.48 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.6 t -80.64 134.03 35.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -97.46 152.5 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -132.27 128.11 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -60.74 -178.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -73.73 -31.79 63.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.58 -23.53 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -68.4 -19.9 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.85 -25.14 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.7 t -68.69 -32.17 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -102.1 -17.99 18.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 94.0 m -117.31 28.96 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.932 0.396 . . . . 0.0 110.938 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -50.14 -51.86 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -51.63 -33.29 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.88 -46.99 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.8 mm -56.06 -43.21 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.86 -40.38 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.92 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.86 -49.58 74.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -61.39 -33.44 73.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.76 -38.72 82.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.24 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -82.19 -28.15 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 t -130.23 124.24 32.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -99.93 43.58 1.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.6 tpp -56.16 135.72 53.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.65 -74.12 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -130.88 162.33 29.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 42.89 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -110.6 141.64 43.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -88.29 -74.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -150.11 166.98 28.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -135.18 117.78 15.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.21 136.91 48.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.46 170.24 8.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -83.91 -64.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 53.55 48.18 22.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -102.48 126.53 49.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.79 144.56 37.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -142.64 126.14 16.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -142.85 147.06 34.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -103.79 -178.45 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -128.34 124.11 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.74 -157.64 7.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 156.52 95.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -100.34 158.97 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -89.54 130.58 35.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -116.21 123.14 47.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -63.07 126.09 26.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -51.0 63.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 50.15 33.46 7.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.29 158.67 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -96.67 167.29 11.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.56 150.44 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.2 t -69.57 114.32 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -82.46 -52.93 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.41 174.96 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.3 t -77.44 141.23 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 -49.24 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -154.83 164.22 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -117.55 138.89 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -145.81 137.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.9 mtp -84.65 150.95 24.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.37 109.41 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -60.94 -26.61 67.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -71.85 -17.37 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.89 22.39 25.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.65 -80.24 0.86 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -154.42 -139.88 2.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.554 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -107.1 152.52 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -127.48 146.53 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -145.83 136.75 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.74 142.45 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.59 125.22 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -98.36 119.67 37.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -74.6 133.3 42.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.12 122.98 16.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.62 -33.03 5.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -103.55 124.69 49.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -110.34 96.52 6.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.65 159.2 47.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.02 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -68.24 -9.34 46.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.78 16.05 7.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -59.64 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.67 120.96 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -90.13 119.09 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 140.82 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.0 p -75.93 169.48 18.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -55.17 -27.15 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.05 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.5 -20.74 64.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.4 -32.73 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -70.42 -22.63 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -96.02 -41.83 3.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 59.7 m -113.22 39.3 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -50.21 -47.96 54.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.97 -37.06 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 25.3 mt -73.03 -49.1 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.9 mm -51.69 -45.27 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.88 -39.53 56.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.96 -47.0 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -55.47 -36.39 66.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -75.54 -39.45 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -61.09 -41.61 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -27.12 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -76.07 -33.42 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 102.8 29.16 5.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -99.7 139.9 14.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -72.28 159.6 84.97 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 163.03 39.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.63 156.83 2.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 140.13 41.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 55.9 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -118.35 -66.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.6 m80 54.16 49.07 19.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -139.89 135.39 32.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -116.84 74.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.25 58.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -143.02 136.86 28.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t 52.11 44.26 29.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -123.88 113.56 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p 55.71 26.58 9.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -84.58 65.83 9.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 114.54 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.2 mt -52.15 155.8 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.55 92.4 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.99 102.64 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -113.71 139.6 48.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.94 133.51 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.045 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -83.58 -69.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 59.72 30.57 20.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -82.41 150.73 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -172.63 136.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.31 147.68 4.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.96 -38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.568 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -146.66 156.89 43.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -120.52 144.32 48.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -93.63 138.37 31.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -125.32 150.67 46.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -113.59 137.16 51.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -126.22 155.76 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.23 137.66 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -83.77 156.4 22.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.37 150.09 31.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.1 t -62.28 115.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.09 -52.23 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -170.66 175.15 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.71 143.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.26 -36.96 9.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -168.15 162.9 13.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -117.65 138.89 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -140.49 144.06 35.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 ttm -89.5 109.61 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.24 110.1 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -83.54 -29.29 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -91.39 -17.46 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.44 -27.52 17.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.07 36.42 35.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -163.52 -131.0 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.452 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -130.77 157.76 41.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -130.8 144.42 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -146.21 134.11 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.78 142.35 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.939 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.23 127.83 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -98.86 145.54 26.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -98.29 134.53 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.72 121.59 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.65 -32.73 5.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -103.43 124.69 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.919 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -106.77 96.78 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.18 158.9 48.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -4.93 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -89.24 15.95 8.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -171.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.0 t -85.57 126.63 34.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -93.51 117.04 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.5 p -99.53 142.73 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -79.2 -178.76 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.53 -25.73 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.96 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.34 -27.11 52.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 63.4 m -59.83 -24.07 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -52.06 -30.99 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.25 -29.86 3.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.81 24.95 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.96 -51.46 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.4 -35.1 37.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.27 -47.89 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.29 -46.24 68.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.15 -39.92 65.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.16 -51.28 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -54.08 -48.62 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -64.8 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.29 -27.15 64.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.38 -29.73 70.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -99.13 25.97 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.01 22.83 60.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.89 173.21 18.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.447 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -97.85 159.94 29.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 175.54 7.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.12 153.63 79.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.78 68.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.34 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.811 -179.81 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.4 t -111.72 46.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 58.02 46.79 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mtt -141.76 108.06 5.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -101.93 37.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t 62.28 32.66 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -59.25 117.8 5.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 m -121.28 135.5 55.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 t -81.0 141.8 34.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -69.04 108.16 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -91.92 97.81 11.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -118.47 116.77 27.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.2 mt -95.41 129.21 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -90.45 164.68 14.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -107.42 -11.85 15.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 m120 57.88 32.85 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.66 144.73 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -128.63 115.16 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -80.87 96.34 6.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -105.56 124.01 48.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -129.26 125.15 36.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.38 164.31 45.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.65 77.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.98 147.07 35.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -129.04 123.08 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -100.34 156.17 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.9 26.2 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -157.48 167.09 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -121.53 107.11 12.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -124.53 161.51 25.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -81.96 114.6 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 p -136.28 144.82 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.7 t -61.81 116.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -83.1 -53.11 6.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -169.18 175.07 5.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 43.8 t -73.65 144.17 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.66 -38.45 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -172.96 152.9 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -117.56 138.71 51.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.79 156.58 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.5 ptm -97.19 154.13 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.64 142.41 49.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.051 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -79.69 -29.76 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -70.24 -17.46 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.93 31.5 5.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.57 -78.52 0.82 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -170.35 -106.69 0.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.54 151.32 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -138.68 134.94 34.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -118.29 132.96 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.77 142.47 32.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mt -99.06 131.48 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 123.68 47.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -74.2 136.61 42.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -65.3 123.76 20.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.19 5.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.922 0.392 . . . . 0.0 110.928 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.98 96.26 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.57 158.71 48.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -165.35 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -6.07 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -90.62 15.99 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.55 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.2 t -82.05 128.9 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -95.66 116.97 29.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.6 p -102.62 130.55 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.2 m -54.97 174.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.801 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.74 -32.47 72.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.94 -23.34 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.44 -19.78 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 7.5 p -55.8 -23.7 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.7 t -69.34 -22.06 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -105.12 -19.76 10.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.5 p -126.47 34.49 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -49.89 -52.41 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -51.45 -33.34 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.9 mt -73.68 -46.7 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.37 -43.05 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.86 -39.84 55.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -58.95 -39.93 83.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -70.78 -30.98 67.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -64.74 -29.07 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.41 -27.69 68.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -84.76 -30.15 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 102.78 41.9 2.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -71.86 168.67 51.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -82.59 160.45 61.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 140.09 41.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -120.05 73.69 19.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.643 0.735 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.21 17.13 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.853 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.3 t -130.56 172.5 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -146.26 168.51 20.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ptp -138.49 139.71 38.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -114.23 30.89 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.0 p -78.5 164.35 24.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.15 163.16 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 m -137.03 115.04 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 p -135.71 151.74 50.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 t -114.05 159.01 20.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -114.41 -43.24 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -114.93 144.09 44.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.36 127.25 39.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 178.73 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -157.17 158.39 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -96.81 148.43 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.77 23.61 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -52.5 119.99 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -154.33 148.02 25.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 52.08 54.89 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -71.81 129.51 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.93 -143.97 9.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.98 47.57 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -88.11 125.15 34.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -80.77 169.9 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -154.73 131.25 10.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -115.56 -27.97 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -149.77 156.23 41.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -68.94 160.93 29.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -93.08 173.03 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -79.66 107.1 12.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.9 t -136.29 150.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.1 t -71.36 114.85 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -112.53 -19.29 12.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.02 175.83 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.5 t -109.8 138.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -53.63 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -161.92 171.99 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -124.93 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -134.27 147.27 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.7 mtt -89.7 130.3 35.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.71 143.56 41.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -83.21 -35.06 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 18.43 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.18 18.34 76.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.78 -27.99 37.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.87 -109.66 0.79 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.454 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -138.46 136.83 36.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -118.78 142.66 47.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -139.23 140.85 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mt -81.77 137.45 35.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.39 128.03 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 130.38 44.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -85.6 131.97 34.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.55 121.27 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.02 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -103.55 124.71 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.08 96.79 6.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.07 158.5 49.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.08 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.1 m -71.84 -6.2 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -89.87 15.91 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.27 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.9 t -87.02 129.8 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -95.48 117.85 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.15 147.25 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.9 t -86.04 -178.75 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -68.03 -17.87 64.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.29 -36.24 81.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -80.48 -26.39 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 t -52.69 -28.5 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -106.49 -22.82 7.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 31.5 m -103.4 25.11 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -50.64 -49.43 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -51.32 -36.04 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.0 mt -72.97 -49.9 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.9 mm -51.78 -44.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -75.98 -39.19 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.14 86.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.61 -37.08 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.65 -39.65 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -55.9 -36.92 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.04 -26.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -74.97 -27.35 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.62 36.14 2.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.519 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.42 156.76 32.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -96.88 159.31 31.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 176.19 7.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 51.8 74.59 0.77 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.0 20.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.0 m -140.97 162.82 34.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.826 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -117.03 47.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.2 ptp -151.33 152.66 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -122.69 95.31 4.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.1 m -104.48 131.98 51.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 56.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 t -85.19 64.15 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -63.8 111.86 2.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 t -164.69 122.12 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -134.25 51.27 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -80.99 130.89 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 tp -140.38 114.31 8.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.98 71.35 9.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.71 80.77 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -134.9 168.27 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.6 23.58 13.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -71.79 143.21 49.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -107.14 48.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -110.96 140.35 45.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -155.08 165.01 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.61 132.79 3.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.81 -32.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -132.25 127.9 36.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -107.5 -48.32 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.22 106.45 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -111.22 26.98 10.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -108.23 176.86 4.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.16 128.78 35.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -105.99 150.92 25.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -81.71 116.05 21.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.21 149.86 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.2 t -68.72 115.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -82.01 -54.9 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.3 ptmt -167.7 174.73 7.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 81.4 t -75.91 138.58 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.14 -37.4 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -166.76 162.07 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -117.53 138.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -146.25 164.59 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 tpp -102.02 120.7 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.12 127.69 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -83.94 -24.06 30.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -17.49 63.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.21 -11.29 51.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.15 -28.1 25.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.93 -118.9 2.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -102.3 169.73 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.3 134.93 18.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -130.65 140.23 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.85 141.81 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.51 127.83 41.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -100.91 117.98 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -73.53 133.59 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.98 124.62 21.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.08 -33.27 4.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -103.87 124.68 49.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.71 96.03 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.93 159.15 46.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.64 0.734 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.2 m -68.77 -8.77 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.0 16.1 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -59.64 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.97 123.09 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -92.92 118.58 31.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.52 137.28 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.9 p -59.24 178.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.86 -23.46 31.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.28 -19.84 63.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 p -55.33 -24.28 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -72.62 -27.97 62.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.3 -41.86 4.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.87 38.26 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -40.51 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.11 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 22.3 mt -75.22 -44.75 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.0 mm -57.79 -43.42 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.98 -40.67 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.64 -47.86 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.74 -44.18 85.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -68.1 -35.14 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.55 -31.22 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.45 -32.81 74.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.76 -28.59 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.17 32.48 4.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -77.67 165.32 52.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 12.0 mmt-85 -79.17 159.46 72.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.66 54.76 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.95 160.5 15.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.7 28.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.28 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.875 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 m -147.51 176.35 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -94.79 168.38 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.8 ptp -144.48 156.33 44.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -108.79 48.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 t -153.09 128.89 10.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 56.5 35.89 26.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 p -77.98 147.06 35.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 m -76.14 -38.71 56.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t 55.13 41.06 31.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -90.37 132.62 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 121.41 35.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.0 mt -95.58 84.56 3.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.75 174.03 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.29 147.39 49.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -119.09 165.2 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.08 121.57 24.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.48 149.62 34.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -144.46 143.8 31.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -160.86 118.09 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -153.73 135.37 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 151.61 123.18 1.05 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.54 39.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -110.26 68.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -122.03 64.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -117.19 92.85 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -138.76 115.78 10.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -149.33 167.62 25.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.3 118.64 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -134.8 179.11 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -94.68 125.31 39.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.21 124.96 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.7 p -54.79 116.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -94.32 -48.56 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.74 174.18 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.7 t -74.64 138.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.23 -50.28 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -156.76 164.53 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -117.6 140.59 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -149.94 140.67 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ptm -103.3 136.15 43.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.6 135.8 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.17 -26.49 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -17.46 63.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.8 19.58 10.17 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.75 -91.43 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.8 -106.48 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -138.94 155.99 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -139.45 153.22 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -145.63 135.94 23.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.2 mt -81.91 142.47 32.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.03 112.86 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -86.11 127.23 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -78.91 132.59 36.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -61.57 123.6 18.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.14 5.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -103.65 124.7 49.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.48 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.69 158.71 47.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.26 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.643 2.228 . . . . 0.0 112.298 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.59 -6.23 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.7 16.09 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.5 -168.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.9 t -83.63 124.98 31.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 76.2 m95 -91.4 116.21 28.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.07 147.06 26.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 m -74.51 163.04 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -60.96 -24.23 65.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.05 51.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -19.91 63.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -55.05 -35.02 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -17.1 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.33 -41.9 1.33 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.4 m -108.87 37.19 2.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -50.3 -47.44 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.23 -37.0 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.5 mt -73.06 -48.97 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.6 mm -53.21 -45.81 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.37 -39.53 62.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.05 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.15 -34.9 77.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -72.35 -35.7 68.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.2 -25.84 67.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.85 -25.99 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -85.07 -26.27 27.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.62 42.71 1.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -96.05 176.96 33.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -90.78 159.45 40.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.743 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 164.8 33.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -85.16 160.55 54.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.688 0.756 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 131.38 21.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -160.8 147.42 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.402 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -141.93 122.39 14.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.1 tpp -144.01 141.87 30.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -9.73 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.98 55.47 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -76.72 110.4 11.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -113.42 176.62 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 m -144.25 139.98 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 p -164.26 149.43 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -167.26 147.57 5.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -148.32 123.52 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 tt -132.23 130.86 41.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.63 177.99 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -118.24 171.26 8.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -128.42 140.43 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.58 156.69 27.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -142.45 160.61 39.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -157.83 126.85 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -125.93 137.53 53.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -156.36 148.31 23.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.83 109.89 0.32 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.57 75.57 0.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.547 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -103.15 96.99 7.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.78 144.18 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -102.74 105.49 15.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -107.57 50.75 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -55.91 164.29 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.11 105.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -123.91 163.59 20.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -107.1 116.37 31.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.21 146.07 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.3 t -61.31 116.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -79.07 -51.05 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.86 175.26 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.2 t -75.76 144.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.144 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.37 -41.36 8.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -163.19 160.16 23.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -117.48 138.89 51.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 47.9 mmt-85 -150.61 148.55 28.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 ptp -103.42 142.75 33.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.88 132.69 47.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -61.04 -35.04 75.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -74.03 -17.46 60.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.54 38.56 8.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.65 -64.35 1.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.75 -135.8 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.52 163.73 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.81 143.43 32.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -138.51 138.25 37.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.68 142.46 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.72 140.49 31.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -113.39 147.36 37.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.73 128.49 46.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -63.07 123.85 19.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.69 -32.66 5.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -103.39 124.84 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.926 0.393 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.65 96.62 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 159.09 48.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -165.28 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.4 m -75.0 -3.58 33.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -89.75 16.0 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -55.96 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.1 t -83.81 131.82 34.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -97.55 121.01 38.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -101.0 132.01 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.6 p -67.58 -179.01 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -60.86 -28.59 68.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.3 53.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.38 -21.81 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.59 -39.61 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.8 t -68.67 -27.85 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.96 -41.91 8.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 18.0 p -114.71 41.31 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -49.91 -49.24 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -51.72 -36.98 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 29.3 mt -72.26 -47.82 47.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.2 mm -52.98 -46.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.97 -40.19 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.91 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -54.46 -36.75 64.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -74.54 -35.83 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -62.41 -29.87 70.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.49 65.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -107.62 24.9 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.89 26.34 45.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -69.33 150.43 49.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -99.12 159.13 30.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.78 4.24 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -101.19 160.52 26.4 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.69 0.757 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.12 5.49 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.852 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.6 p -141.35 124.75 16.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.831 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -164.26 155.44 15.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.4 ptp -153.92 141.6 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.49 81.25 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.2 p -122.55 -35.88 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -81.71 106.74 13.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -117.11 -55.99 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -158.28 135.63 10.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t -149.22 124.53 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -166.89 113.68 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -91.81 69.53 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.5 tp 50.63 51.79 16.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -73.14 114.51 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -77.77 89.46 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -98.55 62.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.53 163.23 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 130.71 34.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -112.97 -32.03 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -92.79 101.84 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -114.08 145.41 41.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.84 129.34 5.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.0 63.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -86.93 113.14 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -126.76 143.87 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -85.53 125.96 33.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -96.21 70.02 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -174.36 167.5 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.6 t0 58.43 53.3 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -110.44 176.19 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -82.43 107.6 15.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.1 p -136.33 144.25 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.5 t -68.06 114.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -111.73 -19.28 12.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.95 175.45 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.96 122.15 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.81 -31.03 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.82 179.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -137.58 138.8 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -143.28 171.15 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 ttp -110.63 141.85 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.79 117.05 20.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -77.61 -19.6 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -69.83 -17.44 63.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.64 -13.15 53.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.16 -27.82 24.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.89 -106.87 0.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -133.15 159.66 39.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.91 133.35 26.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.56 178.69 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.13 132.14 56.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 42.5 mt -85.69 144.0 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -123.76 130.1 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -86.97 141.18 28.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.5 126.25 32.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.75 -33.44 4.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.67 124.7 49.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -100.25 95.36 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.12 159.52 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.69 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.43 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -90.87 15.25 11.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -177.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.5 t -85.4 137.88 32.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -104.71 127.59 52.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.5 m -102.55 146.88 27.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.4 m -83.15 -178.7 7.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -64.02 -42.46 97.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.39 -23.54 49.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -20.58 54.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.7 m -62.14 -17.45 57.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.3 t -63.39 -16.27 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.41 -41.81 1.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.59 28.32 5.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -49.58 -47.81 49.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -51.65 -40.45 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.94 -45.97 66.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.8 mm -52.76 -48.04 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -72.42 -38.44 68.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -55.71 -38.47 69.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -69.86 -39.83 76.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -65.98 -28.35 68.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.17 -26.11 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -89.11 -27.52 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.61 38.58 2.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -86.27 148.7 22.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -76.9 159.43 78.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 174.96 8.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.254 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -126.93 157.58 71.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.752 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 141.77 45.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.274 . . . . 0.0 112.296 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -168.26 155.56 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -66.83 133.54 50.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.2 mtt -133.9 117.08 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -89.06 -51.26 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t 58.71 57.36 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -18.5 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -112.38 128.87 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.1 t -124.01 156.2 36.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.9 p -113.86 132.28 55.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -97.38 92.88 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.24 107.23 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 tp -59.08 132.88 55.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -71.99 155.94 39.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -130.69 110.0 11.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -121.11 133.2 55.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.2 156.38 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.079 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -106.77 168.57 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -131.44 33.05 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -52.05 160.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -111.38 93.8 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.07 -70.54 2.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.43 69.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.33 158.89 15.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -73.82 157.46 36.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -57.02 144.57 33.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -76.13 126.84 31.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -121.27 164.96 16.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -126.4 76.51 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -81.24 170.58 15.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -87.65 107.01 18.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.24 150.14 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 t -66.39 116.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -102.41 -26.17 13.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.76 176.01 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.38 140.01 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.3 -52.08 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -161.43 167.33 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -119.63 139.1 52.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -138.35 142.7 39.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 39.3 ttm -97.64 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.24 115.11 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -74.06 -47.73 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 -17.21 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.82 -19.81 39.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.0 68.95 1.42 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.17 -141.6 3.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -137.66 147.55 45.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -142.03 142.31 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.56 141.8 46.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.99 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 18.7 mt -89.95 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -108.56 118.29 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -74.02 132.18 42.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.85 124.92 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 -33.41 4.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.96 124.52 49.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.93 95.77 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.17 159.06 45.77 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -9.77 44.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.87 16.55 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.01 -168.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.68 127.59 33.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -97.49 117.21 31.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -109.22 140.13 43.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.7 m -57.36 178.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -73.28 -26.89 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.18 -23.42 35.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.61 -19.7 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 8.0 p -54.8 -24.24 21.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.1 t -74.7 -29.94 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.01 -37.76 9.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.4 p -118.78 42.59 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -49.48 -50.11 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.63 -37.61 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.6 mt -72.24 -46.16 57.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.0 mm -53.83 -46.26 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.65 -39.51 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.69 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -57.73 -33.62 68.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -76.86 -38.06 54.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.24 -44.61 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.15 -26.17 66.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -73.1 -26.21 61.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.62 36.88 2.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.51 177.66 51.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -70.48 160.38 81.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.57 0.7 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 171.08 15.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -132.64 157.55 78.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 133.09 24.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.743 2.295 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.816 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m 62.47 27.1 16.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.807 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -113.94 129.54 56.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.2 tpp -119.8 120.69 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -102.47 101.1 11.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.7 t -86.44 144.5 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.19 161.02 38.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -92.58 62.13 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.8 p -106.14 172.84 6.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.9 m -129.25 111.08 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -126.12 151.61 47.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -85.96 136.63 33.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.21 144.19 55.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 155.42 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -132.98 123.55 26.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 61.52 27.84 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.1 23.56 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -95.0 -26.25 16.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -95.71 41.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -86.01 -62.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -167.1 145.89 5.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.14 66.75 0.31 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.73 78.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -111.33 141.94 44.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 57.24 50.9 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -96.47 150.03 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -130.6 61.26 1.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -110.19 163.72 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -147.73 158.55 44.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.5 139.35 26.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -86.23 110.72 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.35 150.17 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.4 t -68.9 115.44 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -96.67 -52.74 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.62 175.53 10.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.1 t -93.35 140.24 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -49.84 6.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -155.64 165.28 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -117.57 147.03 43.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -145.29 169.83 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.1 ttt -117.49 149.77 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.0 132.86 45.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -65.51 -31.78 73.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -82.34 -17.37 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.65 19.19 35.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.79 -65.72 2.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -152.77 -123.4 0.98 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -140.84 145.45 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -107.74 151.98 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -145.55 135.43 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mt -81.59 141.05 34.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.78 133.25 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -104.51 118.91 37.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -73.33 131.42 41.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.95 123.08 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.13 -33.03 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -107.21 96.56 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.25 158.33 49.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -70.72 -7.14 42.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.33 16.08 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.74 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 9.7 t -85.66 127.04 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -93.69 113.82 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.74 143.64 29.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.814 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.7 t -83.16 -178.63 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.74 -25.08 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.27 -32.82 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -26.31 37.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.59 -38.84 56.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -56.7 -35.32 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.52 16.12 31.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 60.9 m -143.0 19.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -50.15 -53.16 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -50.6 -33.12 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 11.2 mt -74.05 -48.81 27.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 41.9 mm -53.89 -43.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.96 -40.52 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -52.61 -48.76 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -66.1 -37.02 84.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -57.94 -28.07 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -71.98 -26.68 62.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -26.66 34.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.37 42.49 2.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.08 160.33 36.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.24 160.44 28.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 110.826 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.41 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.83 67.84 78.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 127.26 14.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.853 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -57.6 119.49 6.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -102.77 143.48 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.4 tpt -127.49 128.37 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -122.28 30.31 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.1 p -78.0 171.71 14.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.71 159.33 40.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 p -121.58 136.11 54.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -101.46 154.87 18.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 m -150.57 152.69 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -92.11 142.44 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -105.55 153.89 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.98 119.16 32.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 169.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -112.19 136.54 51.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -110.61 111.77 23.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.58 106.71 9.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -69.5 143.55 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -98.92 169.47 9.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -139.36 176.6 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -170.17 140.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.52 172.12 24.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.96 82.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.535 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -104.29 172.7 6.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.72 66.22 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -93.61 159.64 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -87.77 172.71 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -140.28 167.29 22.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 t0 55.39 44.25 27.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -128.02 146.04 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -72.74 105.35 4.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.29 151.17 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.2 t -69.46 115.23 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -88.95 -54.97 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -156.72 176.05 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.0 t -85.23 129.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -31.43 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -177.18 164.3 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -117.47 139.28 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -155.14 152.95 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.2 ptm -99.21 157.71 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.58 120.03 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -60.75 -32.35 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -73.64 -17.41 61.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.62 32.33 24.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.32 -25.94 9.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -177.44 -129.34 1.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -145.15 162.17 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -144.8 179.3 7.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -147.37 170.56 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.13 136.49 49.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.9 mt -97.91 143.89 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -123.81 124.44 42.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -73.64 140.31 46.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -75.38 128.89 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.58 -34.0 4.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -104.35 124.69 49.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.98 94.48 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.81 159.26 43.59 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.604 0.716 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -166.08 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 -1.24 39.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -96.51 16.0 19.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -168.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.1 t -80.21 134.86 36.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -102.54 140.39 36.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.0 t -118.69 147.08 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.9 m -73.44 -178.71 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -68.84 -25.64 64.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.0 -26.19 59.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.49 -20.37 43.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.68 -36.13 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -68.24 -26.95 65.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -88.91 -41.85 5.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 24.0 m -106.69 33.13 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -50.03 -50.02 48.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -51.27 -36.24 41.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 26.1 mt -73.03 -47.8 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.8 mm -53.08 -44.87 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.92 -39.22 56.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.85 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.069 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -76.79 -36.61 56.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.12 -31.69 61.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.45 -30.87 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -76.23 -27.33 56.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.801 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 106.76 33.28 3.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -86.09 176.68 48.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -90.72 160.4 38.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.711 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.323 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -98.98 160.48 27.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 163.39 38.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.626 2.217 . . . . 0.0 112.395 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -101.99 172.35 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -101.01 -69.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.0 ttp -170.92 146.56 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -95.33 104.45 16.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -101.2 75.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -72.85 101.62 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.4 t -79.23 84.33 5.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 m -87.88 72.35 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.9 p -84.13 116.79 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -68.13 146.44 53.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -63.49 112.77 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 mt -130.6 175.11 9.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -106.13 102.71 12.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -89.73 158.43 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -112.3 -48.48 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.87 161.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -77.6 137.91 38.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.09 179.66 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -128.63 107.6 9.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -103.64 161.55 13.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.81 -96.56 2.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 150.15 91.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -90.19 148.11 23.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.338 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -127.39 138.65 53.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -104.04 144.66 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -88.07 85.6 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -122.32 171.31 9.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.64 167.25 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -110.3 141.69 42.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -97.61 110.96 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.3 141.65 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.8 t -54.9 117.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -96.17 -34.73 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -171.51 175.96 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.8 t -91.3 144.17 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -98.34 -39.67 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -168.65 158.06 8.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -117.54 139.0 51.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -143.07 142.34 31.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.73 110.75 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.21 128.23 35.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -83.13 -38.15 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -85.85 -17.44 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.76 -54.33 2.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.72 29.62 8.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -145.36 -132.65 2.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -142.22 151.73 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.924 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -138.06 137.09 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -131.45 137.51 48.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.9 136.71 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.78 142.57 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -111.31 145.91 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -101.12 120.48 40.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -51.64 125.74 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.47 -33.81 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -104.39 124.45 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.926 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.56 95.99 6.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 157.92 48.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.84 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 m -69.88 -7.27 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -88.67 16.48 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 5.5 t -80.55 125.43 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -92.93 114.16 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.8 p -99.61 146.53 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.1 p -89.34 -178.74 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.93 -30.18 23.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.76 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -25.63 38.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 47.3 t -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -71.07 -27.02 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -78.5 -41.7 15.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 19.9 m -119.8 41.49 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -50.48 -44.56 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.8 -41.25 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 14.7 mt -72.4 -45.33 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.75 -47.05 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -76.05 -39.91 54.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.06 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.73 -32.39 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -80.77 -37.96 29.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -53.51 -29.22 35.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -28.43 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -69.9 -26.52 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.59 34.05 3.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.21 178.46 22.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -78.32 159.5 74.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -172.71 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.229 . . . . 0.0 112.361 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 51.7 74.51 0.78 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.688 0.756 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -177.59 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.816 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 m -83.48 161.84 21.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -150.84 164.25 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.14 151.03 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -75.93 -74.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 t -165.08 159.48 17.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -93.13 103.59 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.8 m -106.61 65.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 p -91.32 117.12 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 m -111.5 115.25 28.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.67 101.56 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.18 125.54 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.4 mt -95.19 97.83 10.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -61.76 -56.04 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 55.43 44.48 27.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -99.02 179.78 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.81 120.33 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -156.2 170.27 22.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 52.81 42.06 31.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -80.35 -30.74 38.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.38 162.16 30.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.95 141.13 9.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.91 54.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -101.42 113.85 27.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -115.63 157.26 24.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -137.41 143.38 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -154.22 133.61 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -121.88 163.5 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.13 179.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -142.53 163.68 32.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -89.1 161.61 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.3 142.25 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.24 116.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -84.26 -50.43 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -172.36 175.76 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.3 t -80.0 141.6 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -93.57 -49.41 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -156.59 162.78 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -118.67 139.03 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -148.0 147.85 30.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.4 ttm -71.57 147.99 47.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.56 138.7 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -60.81 -28.47 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -17.43 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.38 38.92 16.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.8 -28.68 3.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -149.19 -147.25 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -122.83 157.18 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -128.47 134.95 48.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -136.59 135.2 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.78 142.27 32.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 mt -101.06 136.73 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -103.61 146.37 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -102.54 125.37 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -51.58 120.96 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 94.52 -33.8 5.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.38 124.47 49.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -111.45 96.54 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.38 157.85 49.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -164.51 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.3 -10.81 46.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.1 16.89 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.47 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.65 114.39 19.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 43.4 m95 -83.99 115.49 22.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -107.2 146.91 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.6 t -88.26 -178.77 5.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.45 -24.04 53.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.26 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.77 -23.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.91 -34.1 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -67.47 -19.15 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -101.98 -41.74 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.44 41.92 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -45.53 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.54 -37.5 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 22.5 mt -73.25 -48.84 31.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.1 mm -51.72 -45.5 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.04 -39.71 55.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.13 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -57.73 -36.2 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -77.22 -37.44 53.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.63 -46.93 86.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.11 -24.66 54.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 101.27 35.75 4.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.549 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.32 158.15 37.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.5 mpp_? -88.83 160.19 44.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 175.86 7.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.607 2.205 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.47 157.5 77.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.634 0.73 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.56 40.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -161.96 127.04 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.391 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -164.71 136.78 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.1 ttm -64.15 126.41 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.5 32.83 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m -149.74 174.16 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -166.88 146.93 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.7 p -74.32 131.83 41.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.9 p -82.96 116.88 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.3 m -70.2 131.84 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -78.48 124.81 28.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -66.47 107.97 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.2 tp -80.96 137.57 36.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.55 167.01 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -103.46 141.26 36.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -78.46 -175.31 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.08 175.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.34 170.69 12.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -123.82 163.96 20.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -141.88 176.26 9.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -128.76 -56.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.3 70.79 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.07 37.03 2.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -80.85 149.64 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -97.14 -61.73 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.12 128.76 38.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.25 163.55 6.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -120.58 175.3 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -74.03 164.53 26.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -130.72 166.74 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.13 175.72 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.91 139.29 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.159 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.65 115.81 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.19 -43.34 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -171.86 174.96 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.8 137.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.47 -47.92 7.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -166.96 163.88 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -117.46 152.34 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -159.79 146.74 16.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.4 ttm -74.72 142.59 44.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.99 142.78 39.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -31.59 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -75.42 -17.49 60.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.69 23.45 73.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.09 -29.55 50.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -170.27 -126.38 0.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -141.96 144.46 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -116.17 150.77 36.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -136.78 143.42 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.7 mt -81.63 141.72 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.9 mt -100.02 108.33 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -79.89 126.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.23 143.58 33.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.21 119.07 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.43 -33.26 5.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -103.87 124.69 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -112.78 97.47 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 158.13 51.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -164.55 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -11.72 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.39 16.42 5.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.43 -163.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.77 115.51 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -81.78 118.93 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.06 142.75 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 58.5 m -85.13 175.43 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.98 -25.93 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.53 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.9 -30.41 40.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.5 m -54.74 -26.92 37.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -52.19 -29.77 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.66 -35.59 7.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.7 m -97.15 33.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -48.15 54.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.18 -35.0 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 22.3 mt -74.06 -45.68 47.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.65 -44.51 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.04 -40.13 54.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.59 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.78 -39.11 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -70.91 -33.2 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.77 -35.42 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -29.12 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -76.23 -30.41 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.42 22.95 13.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -74.24 131.53 13.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.99 159.65 70.42 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 170.87 15.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 51.86 74.56 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.735 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 133.97 26.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.274 . . . . 0.0 112.369 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.854 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.6 p -151.45 -179.68 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.791 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -114.07 85.89 2.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 40.8 mtm -98.35 111.74 23.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -114.27 -29.55 6.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 t -79.02 102.88 8.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -99.46 144.31 28.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 p -112.13 52.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -85.12 97.81 10.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -92.03 -70.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -168.53 157.35 8.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -121.11 73.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.0 mt -151.83 150.08 29.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -65.63 138.98 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -127.55 76.27 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -104.74 102.81 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.73 133.58 46.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -84.84 82.65 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -112.26 52.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -128.48 114.94 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -141.42 135.45 30.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 179.02 -178.51 48.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.32 -107.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -154.98 171.67 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -130.25 102.51 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -160.63 159.01 29.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -100.87 -74.27 0.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -175.87 163.23 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -165.36 138.91 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -121.98 172.3 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -142.45 109.27 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.68 149.81 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.39 115.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.76 -54.95 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.4 ptmt -159.87 174.83 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.27 136.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.27 -57.23 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -142.18 165.4 27.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -121.53 162.33 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 -154.61 153.46 31.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.9 ttm -96.99 134.7 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.13 119.16 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -83.29 -32.44 26.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -71.12 -17.51 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.63 60.44 1.71 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.07 -64.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -145.25 -112.64 0.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -151.43 161.14 43.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -117.61 148.27 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -149.84 130.74 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 tp -81.89 136.65 35.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 63.9 mt -100.46 142.88 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -89.74 142.68 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.81 119.05 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 -31.81 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -102.61 128.56 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.12 98.11 7.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.23 158.86 51.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -6.22 43.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.35 15.21 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.77 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.9 t -80.59 129.77 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -88.34 154.23 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 t -139.74 135.48 33.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 t -89.07 169.6 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.3 -29.89 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.74 53.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.7 -28.3 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.3 m -55.8 -26.07 44.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.8 p -56.08 -26.88 51.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.23 -34.69 11.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.0 m -103.12 34.01 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -50.34 -42.41 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -52.86 -42.43 65.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.47 -44.5 62.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.1 mm -51.72 -48.34 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -75.92 -39.86 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.31 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.01 -44.83 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -69.24 -36.26 77.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.08 -47.34 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.25 -25.98 66.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -81.74 -38.86 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.807 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.6 27.8 5.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -96.91 143.26 16.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.67 160.13 50.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 92.21 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.351 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 51.84 74.71 0.74 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 140.66 43.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.289 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 m -115.35 144.55 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -173.79 122.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.56 102.93 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.52 28.12 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -86.86 75.3 9.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -165.84 157.0 13.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -172.09 140.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -119.12 47.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.5 t -123.74 163.81 20.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.69 23.95 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -67.92 156.3 37.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.8 mt -144.42 125.31 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 -174.44 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -133.65 30.68 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -127.22 64.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.12 107.76 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 37.06 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -74.59 -67.13 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -85.14 170.08 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -116.19 -57.73 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.72 43.42 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 176.86 72.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -94.15 125.08 38.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -121.52 -67.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -124.77 132.41 53.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -105.56 -67.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -112.76 163.54 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.38 158.93 32.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -78.87 161.96 26.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -131.63 108.1 9.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.86 150.24 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.0 t -63.0 116.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -93.47 -49.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -154.75 141.17 18.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.9 t -69.1 123.91 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -156.38 175.85 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -127.14 162.38 26.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -148.86 161.76 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.9 ttt -99.61 146.19 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.55 153.86 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -83.99 -30.02 26.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -78.93 -17.45 55.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.09 52.71 3.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.23 63.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.25 158.1 8.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -115.77 154.85 28.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -126.91 146.95 50.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -146.05 129.86 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 tp -81.73 133.71 35.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.7 mt -96.26 140.1 31.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -110.66 128.37 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -73.2 135.3 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.98 119.64 11.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.16 -32.38 5.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -103.13 124.86 49.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.95 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.6 97.78 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.47 158.59 51.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.577 0.703 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -12.0 58.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.21 15.49 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -57.53 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.42 136.81 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -103.62 154.36 19.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.34 144.91 49.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p -90.4 -178.78 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -59.84 -25.98 65.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.11 -36.91 61.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.44 -22.31 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 28.6 t -52.95 -28.79 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.3 t -80.12 -31.63 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -80.2 -41.82 11.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 30.4 p -112.48 34.9 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -50.42 -40.69 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -53.78 -43.27 69.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 34.1 mt -72.55 -43.74 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 41.9 mm -51.73 -50.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.0 -41.23 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.69 -38.48 55.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -65.01 -53.6 43.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -58.74 -37.38 76.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -63.62 -28.6 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -68.32 -29.94 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -80.24 -28.36 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 102.42 40.09 2.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.97 145.41 25.8 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -93.64 159.06 35.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.713 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 135.79 31.43 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -51.67 156.79 2.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 162.69 41.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.3 p -148.45 150.02 32.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -79.1 171.39 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -26.23 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 57.76 48.65 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -106.25 -46.66 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.83 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -113.52 93.36 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.8 t -125.22 -50.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.7 m -95.45 -74.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 m 57.5 29.14 16.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -111.28 110.97 21.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -163.71 119.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.46 122.97 42.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.83 178.57 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -172.88 129.31 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -140.28 151.29 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -157.82 132.79 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -141.37 150.35 42.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -164.59 132.13 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -129.2 153.42 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -169.36 127.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.0 144.18 6.93 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.35 111.88 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.55 92.33 4.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -112.68 132.13 55.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -97.4 156.39 16.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -77.02 146.79 37.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -101.93 163.73 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -162.16 113.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -125.99 144.93 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -70.85 113.03 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.7 t -136.23 148.99 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.51 116.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -96.34 -55.06 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -146.07 174.87 10.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.3 t -101.97 121.55 53.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -61.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -154.61 174.03 15.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -123.5 161.41 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -147.15 144.89 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 35.7 mtp -80.0 144.77 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.33 133.19 41.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -82.37 -27.55 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -85.67 -17.42 36.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.88 23.87 40.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.424 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.96 -43.95 9.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.92 -128.51 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -127.71 162.62 26.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -127.43 147.97 50.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -148.16 133.03 18.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.8 tp -81.69 129.3 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 46.7 mt -87.16 143.4 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -114.65 124.98 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -74.39 139.84 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 118.92 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.8 -32.23 5.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.86 124.9 49.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.986 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -108.64 97.55 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.64 159.06 50.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -166.16 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.34 -11.56 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.9 15.26 10.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -59.3 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.59 130.02 34.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -100.23 134.11 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.7 t -121.35 144.4 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -68.37 177.57 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.02 -27.21 60.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.7 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -68.1 -19.84 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.2 p -53.61 -25.34 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.0 t -68.21 -32.41 72.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.17 -41.84 4.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 29.1 p -101.92 33.42 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -42.95 53.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.56 -41.05 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 12.3 mt -72.74 -45.58 57.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.4 mm -51.86 -47.37 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.95 -39.84 55.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.27 -54.33 47.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -61.38 -37.6 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -56.62 -27.71 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.42 -28.03 63.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -78.16 -25.93 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.41 39.99 1.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.5 174.61 17.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.49 160.43 82.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.88 17.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -128.52 157.51 74.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 137.4 35.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.858 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -140.92 137.09 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.374 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -76.44 164.81 25.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -109.26 135.74 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -116.25 40.51 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m -131.0 133.99 46.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -136.03 123.88 22.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.6 p -66.63 101.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.1 m -107.84 161.4 14.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -145.21 155.52 43.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -142.14 128.16 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 160.74 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mp -114.67 79.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.47 109.6 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -93.96 72.03 4.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -91.95 101.65 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.9 131.25 19.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -97.52 95.97 8.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.81 166.27 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -146.84 123.11 10.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -146.2 112.46 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.65 153.75 21.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.87 35.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.551 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -98.3 146.75 25.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -84.61 155.95 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -142.13 160.57 39.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -124.63 29.21 6.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -100.68 -64.11 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.1 t70 53.46 47.74 23.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -146.25 164.47 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -119.98 171.85 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.12 150.16 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.57 115.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.16 174.29 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.2 t -79.43 124.47 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -57.99 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -160.62 169.09 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -118.18 162.68 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -152.65 167.99 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 ptm -116.75 120.54 38.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.33 117.02 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -66.14 -25.97 67.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -69.95 -17.43 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.39 19.07 31.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -77.88 -19.4 75.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.62 -106.46 0.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.523 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -149.17 171.07 17.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.872 0.367 . . . . 0.0 110.932 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.44 168.68 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -144.14 128.22 17.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.88 134.02 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.44 141.71 28.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.0 tttt -116.42 140.55 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -93.33 138.78 31.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -72.3 121.43 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.33 -32.23 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -102.93 124.71 48.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -107.94 97.41 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.82 159.08 49.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -67.41 -9.64 43.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -86.94 15.76 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -52.73 175.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -79.77 127.98 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -94.81 151.34 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 p -130.65 142.18 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.3 m -86.69 179.08 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.8 -30.02 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.83 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.74 -24.48 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 30.4 t -51.94 -32.03 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -80.82 -32.58 35.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -75.08 -39.72 36.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.6 m -104.45 36.37 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -44.32 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -51.92 -41.55 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.53 -44.4 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.3 mm -52.14 -47.94 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.85 -39.95 55.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -56.3 -56.79 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -69.22 -27.51 65.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.18 -31.13 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.81 -29.48 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -88.06 -32.41 18.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.26 41.4 2.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.45 156.69 32.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -71.98 160.45 82.64 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 179.91 3.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -111.18 160.27 29.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 173.7 10.61 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.5 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.832 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.0 p -139.79 120.41 14.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -162.31 123.02 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.0 tpp -82.48 139.81 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -134.14 52.48 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.1 t -93.41 154.74 17.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -81.58 138.67 35.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.0 m -61.84 -37.61 85.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 p -124.61 156.57 37.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -87.3 151.2 23.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -94.77 94.62 8.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 101.97 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.0 tp -90.03 140.62 29.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -92.41 103.65 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.28 157.37 22.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -145.03 156.32 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.05 148.6 26.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -95.34 160.51 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -115.57 178.45 4.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -140.11 132.49 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.89 -48.16 39.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.55 -160.23 53.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.41 103.79 0.17 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -90.78 150.44 21.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -123.24 134.21 54.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -128.89 133.63 47.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -76.28 155.95 33.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.29 169.84 9.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -111.63 150.92 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -129.87 155.08 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -117.52 118.04 31.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p -132.46 148.65 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.79 115.54 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.13 -33.6 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -174.35 175.48 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.4 t -93.1 143.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.53 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -144.91 175.35 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -124.47 139.2 54.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -138.65 154.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.6 mtp -89.85 151.09 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.77 148.31 50.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -75.89 -26.04 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -70.16 -17.52 63.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.09 30.81 16.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.03 84.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.435 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 148.03 156.01 6.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -118.14 137.0 53.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -124.13 133.49 53.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -120.04 147.07 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.77 130.69 35.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.4 mt -93.24 126.09 38.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.63 135.76 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -83.11 130.02 35.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.13 118.99 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 -32.73 5.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -103.26 124.67 49.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -97.72 96.67 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.28 158.95 48.58 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.633 0.73 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -8.88 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.64 16.85 11.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -59.22 -169.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.8 t -79.73 139.82 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 20.5 m0 -99.84 148.36 24.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.6 p -129.3 128.76 43.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.801 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 t -85.3 176.72 8.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.31 -29.97 59.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.85 99.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.47 -27.06 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -53.42 -29.01 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.1 t -56.88 -24.9 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.71 -41.15 7.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 28.3 p -107.3 37.36 2.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.911 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -50.38 -46.06 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.1 -39.55 59.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 35.4 mt -72.42 -46.01 57.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.9 mm -52.51 -47.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.45 -39.37 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.48 83.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -56.16 -45.56 79.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.2 -42.8 88.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -58.13 -46.24 85.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.59 -29.3 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -80.24 -27.26 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.5 25.7 6.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.8 160.7 54.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -77.32 159.43 77.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.52 2.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.7 156.79 2.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.66 56.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 p -100.7 111.95 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -133.13 155.19 49.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -79.33 -179.79 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -132.77 47.23 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 m -141.49 175.28 9.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.34 154.81 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 t -85.24 154.05 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -101.52 127.12 48.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -131.27 156.14 45.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.45 115.36 29.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -142.71 130.68 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.72 92.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.25 -36.25 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 58.36 41.06 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -88.94 -177.31 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -176.7 145.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -96.18 100.97 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -54.73 138.83 41.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.84 135.47 7.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -75.5 -57.5 3.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.9 106.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 129.56 91.51 0.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.59 -177.43 6.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -144.45 136.37 26.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -161.76 152.55 17.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -143.03 167.61 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -122.86 142.93 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.27 165.68 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -143.59 142.84 31.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -85.73 148.95 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.23 147.39 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.26 115.38 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -82.29 -54.98 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -172.41 174.87 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.2 t -73.89 121.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -77.31 -59.4 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -141.93 175.78 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -136.38 138.99 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -147.31 154.57 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpp -86.52 145.38 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.58 127.94 33.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -78.6 -26.46 45.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.07 -17.38 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.73 20.53 14.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.96 -119.19 2.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.29 -136.95 8.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.478 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -109.26 167.3 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -145.01 134.63 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -120.36 138.83 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.3 tp -82.42 135.68 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.5 mt -87.15 143.37 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -114.45 147.08 39.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -94.53 132.01 39.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -66.8 118.86 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.39 -32.32 5.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -103.01 124.85 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -100.26 97.73 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.45 158.48 51.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -169.21 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.374 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -7.55 52.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.86 15.16 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -58.48 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 14.6 t -80.64 134.03 35.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -97.46 152.5 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -132.27 128.11 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -60.74 -178.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -73.73 -31.79 63.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.58 -23.53 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -68.4 -19.9 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.85 -25.14 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.7 t -68.69 -32.17 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -102.1 -17.99 18.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 94.0 m -117.31 28.96 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.932 0.396 . . . . 0.0 110.938 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -50.14 -51.86 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -51.63 -33.29 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.4 mt -73.88 -46.99 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.8 mm -56.06 -43.21 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.86 -40.38 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.92 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.86 -49.58 74.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -61.39 -33.44 73.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.76 -38.72 82.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.24 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -82.19 -28.15 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.94 29.44 6.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.4 149.69 30.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 62.2 mmt-85 -93.28 159.2 35.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 178.5 4.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -139.29 73.7 36.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 117.64 5.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.837 0.351 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 127' ' ' LEU . 18.2 t -69.57 114.32 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -82.46 -52.93 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -166.41 174.96 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 127' ' ' LEU . 94.3 t -77.44 141.23 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 -49.24 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -154.83 164.22 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -117.55 138.89 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -145.81 137.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.9 mtp -84.65 150.95 24.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.935 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -107.1 152.52 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -127.48 146.53 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -145.83 136.75 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.622 HD11 ' CH2' ' A' ' 115' ' ' TRP . 1.1 mt -81.74 142.45 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.59 125.22 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -98.36 119.67 37.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -74.6 133.3 42.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.12 122.98 16.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.62 -33.03 5.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -103.55 124.69 49.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -110.34 96.52 6.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.65 159.2 47.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.02 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -68.24 -9.34 46.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.78 16.05 7.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.526 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.6 t-20 -59.64 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.488 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -84.67 120.96 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.622 ' CH2' HD11 ' A' ' 101' ' ' LEU . 35.1 m95 -90.13 119.09 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 140.82 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.0 p -75.93 169.48 18.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -55.17 -27.15 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.05 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.5 -20.74 64.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.4 -32.73 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -70.42 -22.63 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -96.02 -41.83 3.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.45 ' HB3' HD12 ' A' ' 127' ' ' LEU . 59.7 m -113.22 39.3 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -50.21 -47.96 54.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.97 -37.06 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 85' ' ' LYS . 25.3 mt -73.03 -49.1 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.9 mm -51.69 -45.27 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.88 -39.53 56.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.96 -47.0 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -55.47 -36.39 66.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -75.54 -39.45 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -61.09 -41.61 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -27.12 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -76.07 -33.42 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.868 0.366 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.1 t -62.28 115.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.09 -52.23 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.596 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -170.66 175.15 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 127' ' ' LEU . 98.4 t -70.71 143.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -98.26 -36.96 9.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -168.15 162.9 13.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -117.65 138.89 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -140.49 144.06 35.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 ttm -89.5 109.61 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -130.77 157.76 41.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -130.8 144.42 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -146.21 134.11 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.598 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.1 mt -81.78 142.35 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.939 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.23 127.83 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.44 ' HB2' HD23 ' A' ' 87' ' ' LEU . 31.7 tttm -98.86 145.54 26.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -98.29 134.53 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.72 121.59 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.65 -32.73 5.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -103.43 124.69 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.919 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -106.77 96.78 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.18 158.9 48.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -4.93 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -89.24 15.95 8.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.556 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -58.34 -171.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.463 ' C ' HD23 ' A' ' 101' ' ' LEU . 8.0 t -85.57 126.63 34.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.598 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 41.5 m95 -93.51 117.04 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.5 p -99.53 142.73 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -79.2 -178.76 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.53 -25.73 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.96 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.34 -27.11 52.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 63.4 m -59.83 -24.07 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -52.06 -30.99 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.25 -29.86 3.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.81 24.95 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.96 -51.46 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.4 -35.1 37.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' ' 85' ' ' LYS . 21.4 mt -72.27 -47.89 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.29 -46.24 68.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.15 -39.92 65.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.16 -51.28 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -54.08 -48.62 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -64.8 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.29 -27.15 64.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.38 -29.73 70.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -99.13 25.97 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.879 0.371 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 127' ' ' LEU . 20.7 t -61.81 116.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -83.1 -53.11 6.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.586 ' HA ' HD13 ' A' ' 127' ' ' LEU . 3.1 pttm -169.18 175.07 5.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.555 HG23 ' HB3' ' A' ' 127' ' ' LEU . 43.8 t -73.65 144.17 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -97.66 -38.45 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -172.96 152.9 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -117.56 138.71 51.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.79 156.58 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.5 ptm -97.19 154.13 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.051 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.54 151.32 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -138.68 134.94 34.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -118.29 132.96 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.466 HD22 ' CB ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -81.77 142.47 32.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 116' ' ' SER . 8.9 mt -99.06 131.48 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 123.68 47.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -74.2 136.61 42.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -65.3 123.76 20.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.19 5.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.922 0.392 . . . . 0.0 110.928 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.98 96.26 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.57 158.71 48.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -165.35 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -6.07 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -90.62 15.99 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.466 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -59.55 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.424 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.2 t -82.05 128.9 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.43 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 36.4 m95 -95.66 116.97 29.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.422 ' HB3' HD11 ' A' ' 102' ' ' LEU . 12.6 p -102.62 130.55 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.2 m -54.97 174.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.801 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.74 -32.47 72.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.94 -23.34 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.44 -19.78 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 7.5 p -55.8 -23.7 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.7 t -69.34 -22.06 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -105.12 -19.76 10.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.542 ' HB2' HD12 ' A' ' 127' ' ' LEU . 23.5 p -126.47 34.49 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -49.89 -52.41 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -51.45 -33.34 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 85' ' ' LYS . 24.9 mt -73.68 -46.7 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.37 -43.05 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.86 -39.84 55.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -58.95 -39.93 83.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -70.78 -30.98 67.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -64.74 -29.07 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.41 -27.69 68.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -84.76 -30.15 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.889 0.376 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.662 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.1 t -71.36 114.85 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -112.53 -19.29 12.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.02 175.83 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.5 t -109.8 138.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -53.63 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -161.92 171.99 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -124.93 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -134.27 147.27 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.7 mtt -89.7 130.3 35.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -138.46 136.83 36.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -118.78 142.66 47.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -139.23 140.85 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.678 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.3 mt -81.77 137.45 35.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.512 HD22 HG21 ' A' ' 83' ' ' VAL . 11.6 mt -88.39 128.03 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 130.38 44.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -85.6 131.97 34.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.55 121.27 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.02 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -103.55 124.71 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.08 96.79 6.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.07 158.5 49.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.08 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.1 m -71.84 -6.2 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -89.87 15.91 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.56 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t-20 -59.27 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.412 ' O ' HD23 ' A' ' 101' ' ' LEU . 6.9 t -87.02 129.8 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.678 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 61.1 m95 -95.48 117.85 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -104.15 147.25 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.9 t -86.04 -178.75 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -68.03 -17.87 64.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.29 -36.24 81.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -80.48 -26.39 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 t -52.69 -28.5 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -106.49 -22.82 7.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 31.5 m -103.4 25.11 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -50.64 -49.43 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -51.32 -36.04 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.662 ' CD1' HG12 ' A' ' 83' ' ' VAL . 24.0 mt -72.97 -49.9 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.9 mm -51.78 -44.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -75.98 -39.19 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.14 86.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.61 -37.08 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.65 -39.65 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -55.9 -36.92 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.04 -26.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -74.97 -27.35 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.519 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.884 0.373 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.439 HG12 ' CD1' ' A' ' 127' ' ' LEU . 13.2 t -68.72 115.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -82.01 -54.9 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.661 ' HA ' HD13 ' A' ' 127' ' ' LEU . 11.3 ptmt -167.7 174.73 7.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 127' ' ' LEU . 81.4 t -75.91 138.58 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.444 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -94.14 -37.4 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -166.76 162.07 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -117.53 138.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -146.25 164.59 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 tpp -102.02 120.7 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -102.3 169.73 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.3 134.93 18.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -130.65 140.23 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.589 HD11 ' CH2' ' A' ' 115' ' ' TRP . 1.1 mt -81.85 141.81 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.51 127.83 41.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' HG3' HD23 ' A' ' 87' ' ' LEU . 34.6 tttp -100.91 117.98 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -73.53 133.59 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.98 124.62 21.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.08 -33.27 4.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -103.87 124.68 49.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.71 96.03 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.93 159.15 46.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.64 0.734 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.2 m -68.77 -8.77 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.0 16.1 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.532 ' HB3' HD22 ' A' ' 101' ' ' LEU . 1.6 t-20 -59.64 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.46 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -83.97 123.09 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.589 ' CH2' HD11 ' A' ' 101' ' ' LEU . 33.3 m95 -92.92 118.58 31.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.52 137.28 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.9 p -59.24 178.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.86 -23.46 31.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.28 -19.84 63.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 p -55.33 -24.28 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -72.62 -27.97 62.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.3 -41.86 4.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.87 38.26 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -40.51 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.11 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.661 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.3 mt -75.22 -44.75 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.0 mm -57.79 -43.42 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.98 -40.67 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.64 -47.86 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.74 -44.18 85.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -68.1 -35.14 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.55 -31.22 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.45 -32.81 74.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.76 -28.59 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.7 p -54.79 116.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -94.32 -48.56 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -157.74 174.18 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.443 HG21 HD13 ' A' ' 128' ' ' ILE . 90.7 t -74.64 138.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.622 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -84.23 -50.28 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -156.76 164.53 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -117.6 140.59 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -149.94 140.67 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ptm -103.3 136.15 43.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -138.94 155.99 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -139.45 153.22 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -145.63 135.94 23.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.579 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.2 mt -81.91 142.47 32.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 116' ' ' SER . 8.5 mt -97.03 112.86 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.622 ' HG3' HD23 ' A' ' 87' ' ' LEU . 28.7 tttt -86.11 127.23 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -78.91 132.59 36.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -61.57 123.6 18.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.14 5.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -103.65 124.7 49.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.48 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.69 158.71 47.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.26 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.643 2.228 . . . . 0.0 112.298 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.59 -6.23 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.7 16.09 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.544 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -59.5 -168.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.9 t -83.63 124.98 31.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.579 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 76.2 m95 -91.4 116.21 28.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.549 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -101.07 147.06 26.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 m -74.51 163.04 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -60.96 -24.23 65.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.05 51.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -19.91 63.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -55.05 -35.02 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -17.1 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.33 -41.9 1.33 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.4 m -108.87 37.19 2.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -50.3 -47.44 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.23 -37.0 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 85' ' ' LYS . 16.5 mt -73.06 -48.97 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.443 HD13 HG21 ' A' ' 86' ' ' VAL . 40.6 mm -53.21 -45.81 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.37 -39.53 62.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.05 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.15 -34.9 77.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -72.35 -35.7 68.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.2 -25.84 67.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.85 -25.99 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -85.07 -26.27 27.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.872 0.368 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.3 t -61.31 116.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -79.07 -51.05 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.573 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -167.86 175.26 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 127' ' ' LEU . 90.2 t -75.76 144.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.144 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.541 HD23 ' CG ' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -97.37 -41.36 8.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -163.19 160.16 23.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -117.48 138.89 51.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 47.9 mmt-85 -150.61 148.55 28.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 ptp -103.42 142.75 33.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.133 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.52 163.73 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.81 143.43 32.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.467 ' CG ' HD12 ' A' ' 128' ' ' ILE . 6.6 m-85 -138.51 138.25 37.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 114' ' ' THR . 0.5 OUTLIER -81.68 142.46 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.72 140.49 31.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.541 ' CG ' HD23 ' A' ' 87' ' ' LEU . 7.2 tmtt? -113.39 147.36 37.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.73 128.49 46.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -63.07 123.85 19.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.69 -32.66 5.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -103.39 124.84 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.926 0.393 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.65 96.62 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 159.09 48.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -165.28 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.4 m -75.0 -3.58 33.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -89.75 16.0 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.547 ' CB ' HD22 ' A' ' 101' ' ' LEU . 4.5 m-20 -55.96 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.74 ' O ' HD23 ' A' ' 101' ' ' LEU . 11.1 t -83.81 131.82 34.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.723 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 36.4 m95 -97.55 121.01 38.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -101.0 132.01 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.6 p -67.58 -179.01 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -60.86 -28.59 68.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.3 53.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.38 -21.81 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.59 -39.61 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.8 t -68.67 -27.85 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.96 -41.91 8.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.469 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.0 p -114.71 41.31 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -49.91 -49.24 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -51.72 -36.98 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.575 ' HB3' HG23 ' A' ' 86' ' ' VAL . 29.3 mt -72.26 -47.82 47.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 100' ' ' TYR . 46.2 mm -52.98 -46.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.97 -40.19 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.91 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -54.46 -36.75 64.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -74.54 -35.83 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -62.41 -29.87 70.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.49 65.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -107.62 24.9 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.44 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.817 0.342 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.673 HG12 ' CD1' ' A' ' 127' ' ' LEU . 9.5 t -68.06 114.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -111.73 -19.28 12.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.493 ' N ' HD13 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -155.95 175.45 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 127' ' ' LEU . 98.6 t -105.96 122.15 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.703 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -70.81 -31.03 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.82 179.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -137.58 138.8 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -143.28 171.15 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 ttp -110.63 141.85 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -133.15 159.66 39.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.91 133.35 26.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.56 178.69 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -117.13 132.14 56.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.616 HD11 ' OG ' ' A' ' 116' ' ' SER . 42.5 mt -85.69 144.0 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.453 ' HD2' HD22 ' A' ' 87' ' ' LEU . 36.6 tttt -123.76 130.1 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -86.97 141.18 28.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.5 126.25 32.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.75 -33.44 4.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.67 124.7 49.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -100.25 95.36 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.12 159.52 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.69 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.43 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -90.87 15.25 11.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.466 ' CB ' HD21 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -56.65 -177.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.601 ' CG2' HD12 ' A' ' 102' ' ' LEU . 5.5 t -85.4 137.88 32.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -104.71 127.59 52.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.616 ' OG ' HD11 ' A' ' 102' ' ' LEU . 1.5 m -102.55 146.88 27.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.4 m -83.15 -178.7 7.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -64.02 -42.46 97.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.39 -23.54 49.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -20.58 54.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.7 m -62.14 -17.45 57.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.3 t -63.39 -16.27 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.41 -41.81 1.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.59 28.32 5.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -49.58 -47.81 49.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -51.65 -40.45 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.673 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.8 mt -69.94 -45.97 66.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.8 mm -52.76 -48.04 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -72.42 -38.44 68.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -55.71 -38.47 69.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -69.86 -39.83 76.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -65.98 -28.35 68.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.17 -26.11 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -89.11 -27.52 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.496 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.852 0.358 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.6 t -66.39 116.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -102.41 -26.17 13.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.454 ' CA ' HD13 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -166.76 176.01 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.38 140.01 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.3 -52.08 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -161.43 167.33 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -119.63 139.1 52.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -138.35 142.7 39.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 39.3 ttm -97.64 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -137.66 147.55 45.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -142.03 142.31 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.56 141.8 46.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -83.99 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 116' ' ' SER . 18.7 mt -89.95 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -108.56 118.29 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -74.02 132.18 42.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.85 124.92 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 -33.41 4.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.96 124.52 49.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.93 95.77 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.17 159.06 45.77 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -9.77 44.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.87 16.55 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.497 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.5 t-20 -59.01 -168.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.68 127.59 33.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.593 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 37.2 m95 -97.49 117.21 31.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.482 ' HB2' HD11 ' A' ' 102' ' ' LEU . 23.3 t -109.22 140.13 43.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.7 m -57.36 178.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -73.28 -26.89 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.18 -23.42 35.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.61 -19.7 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 8.0 p -54.8 -24.24 21.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.1 t -74.7 -29.94 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.01 -37.76 9.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.4 p -118.78 42.59 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -49.48 -50.11 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.63 -37.61 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.639 ' CD1' HG12 ' A' ' 83' ' ' VAL . 24.6 mt -72.24 -46.16 57.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.0 mm -53.83 -46.26 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.65 -39.51 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.69 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -57.73 -33.62 68.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -76.86 -38.06 54.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.24 -44.61 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.15 -26.17 66.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -73.1 -26.21 61.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.858 0.361 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.552 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.4 t -68.9 115.44 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -96.67 -52.74 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.62 175.53 10.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.609 HG23 ' HB3' ' A' ' 127' ' ' LEU . 99.1 t -93.35 140.24 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -49.84 6.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -155.64 165.28 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -117.57 147.03 43.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -145.29 169.83 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.1 ttt -117.49 149.77 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -140.84 145.45 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -107.74 151.98 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -145.55 135.43 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.634 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.3 mt -81.59 141.05 34.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.629 HD11 ' OG ' ' A' ' 116' ' ' SER . 14.5 mt -93.78 133.25 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -104.51 118.91 37.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -73.33 131.42 41.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.95 123.08 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.13 -33.03 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -107.21 96.56 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.25 158.33 49.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -70.72 -7.14 42.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.33 16.08 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.551 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t-20 -58.74 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.429 ' C ' HD23 ' A' ' 101' ' ' LEU . 9.7 t -85.66 127.04 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.634 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 48.1 m95 -93.69 113.82 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.629 ' OG ' HD11 ' A' ' 102' ' ' LEU . 0.5 OUTLIER -99.74 143.64 29.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.814 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.7 t -83.16 -178.63 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.74 -25.08 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.27 -32.82 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -26.31 37.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.59 -38.84 56.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -56.7 -35.32 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.52 16.12 31.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 60.9 m -143.0 19.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -50.15 -53.16 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -50.6 -33.12 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.609 ' HB3' HG23 ' A' ' 86' ' ' VAL . 11.2 mt -74.05 -48.81 27.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.47 HD13 HG21 ' A' ' 86' ' ' VAL . 41.9 mm -53.89 -43.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.96 -40.52 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -52.61 -48.76 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -66.1 -37.02 84.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -57.94 -28.07 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -71.98 -26.68 62.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -26.66 34.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.882 0.372 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 127' ' ' LEU . 15.2 t -69.46 115.23 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -88.95 -54.97 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -156.72 176.05 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 127' ' ' LEU . 18.0 t -85.23 129.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.618 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -80.95 -31.43 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -177.18 164.3 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -117.47 139.28 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -155.14 152.95 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.2 ptm -99.21 157.71 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -145.15 162.17 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -144.8 179.3 7.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.484 ' CD1' HD12 ' A' ' 128' ' ' ILE . 91.2 m-85 -147.37 170.56 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -110.13 136.49 49.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.631 HD12 HG23 ' A' ' 114' ' ' THR . 9.9 mt -97.91 143.89 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.584 ' HG3' HD23 ' A' ' 87' ' ' LEU . 28.4 tttt -123.81 124.44 42.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -73.64 140.31 46.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -75.38 128.89 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.58 -34.0 4.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -104.35 124.69 49.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.98 94.48 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.81 159.26 43.59 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.604 0.716 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -166.08 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 -1.24 39.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -96.51 16.0 19.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -168.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.631 HG23 HD12 ' A' ' 102' ' ' LEU . 14.1 t -80.21 134.86 36.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -102.54 140.39 36.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.53 ' HB2' HD11 ' A' ' 102' ' ' LEU . 6.0 t -118.69 147.08 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.9 m -73.44 -178.71 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -68.84 -25.64 64.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.0 -26.19 59.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.49 -20.37 43.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.68 -36.13 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -68.24 -26.95 65.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -88.91 -41.85 5.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.496 ' HB3' HD12 ' A' ' 127' ' ' LEU . 24.0 m -106.69 33.13 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -50.03 -50.02 48.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -51.27 -36.24 41.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.548 ' HB3' HG23 ' A' ' 86' ' ' VAL . 26.1 mt -73.03 -47.8 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' A' ' 100' ' ' TYR . 46.8 mm -53.08 -44.87 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.92 -39.22 56.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.85 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.069 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -76.79 -36.61 56.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.12 -31.69 61.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.45 -30.87 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -76.23 -27.33 56.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.801 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 127' ' ' LEU . 27.8 t -54.9 117.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -96.17 -34.73 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.75 ' HA ' HD13 ' A' ' 127' ' ' LEU . 22.2 ptmt -171.51 175.96 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.8 t -91.3 144.17 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 88' ' ' LYS . 3.3 tm? -98.34 -39.67 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.503 ' HB2' HD13 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -168.65 158.06 8.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -117.54 139.0 51.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -143.07 142.34 31.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.73 110.75 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -142.22 151.73 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.924 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -138.06 137.09 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.52 ' CG ' HD12 ' A' ' 128' ' ' ILE . 8.7 m-85 -131.45 137.51 48.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -82.9 136.71 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.78 142.57 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -111.31 145.91 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -101.12 120.48 40.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -51.64 125.74 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.47 -33.81 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -104.39 124.45 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.926 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.56 95.99 6.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 157.92 48.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.84 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 m -69.88 -7.27 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -88.67 16.48 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.514 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -57.07 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.453 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.5 t -80.55 125.43 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -92.93 114.16 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.8 p -99.61 146.53 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.1 p -89.34 -178.74 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.93 -30.18 23.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.76 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -25.63 38.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 47.3 t -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -71.07 -27.02 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -78.5 -41.7 15.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 19.9 m -119.8 41.49 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -50.48 -44.56 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.8 -41.25 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.75 HD13 ' HA ' ' A' ' 85' ' ' LYS . 14.7 mt -72.4 -45.33 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 100' ' ' TYR . 49.1 mm -51.75 -47.05 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -76.05 -39.91 54.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.06 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.73 -32.39 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -80.77 -37.96 29.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -53.51 -29.22 35.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -28.43 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -69.9 -26.52 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.88 0.371 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.5 t -59.24 116.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -84.26 -50.43 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.692 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.5 OUTLIER -172.36 175.76 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.3 t -80.0 141.6 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.658 HD13 ' HG3' ' A' ' 88' ' ' LYS . 3.3 tm? -93.57 -49.41 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.658 ' HG3' HD13 ' A' ' 87' ' ' LEU . 69.8 mttt -156.59 162.78 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -118.67 139.03 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -148.0 147.85 30.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.4 ttm -71.57 147.99 47.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -122.83 157.18 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -128.47 134.95 48.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -136.59 135.2 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.534 HD22 ' CB ' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -81.78 142.27 32.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 mt -101.06 136.73 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.405 ' NZ ' HD23 ' A' ' 87' ' ' LEU . 25.5 mtpp -103.61 146.37 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -102.54 125.37 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -51.58 120.96 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 94.52 -33.8 5.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.38 124.47 49.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -111.45 96.54 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.38 157.85 49.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -164.51 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.3 -10.81 46.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.1 16.89 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -58.47 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.65 114.39 19.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.462 ' CH2' HD11 ' A' ' 101' ' ' LEU . 43.4 m95 -83.99 115.49 22.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -107.2 146.91 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.6 t -88.26 -178.77 5.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.45 -24.04 53.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.26 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.77 -23.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.91 -34.1 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -67.47 -19.15 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -101.98 -41.74 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.44 41.92 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -45.53 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.54 -37.5 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.692 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.5 mt -73.25 -48.84 31.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.1 mm -51.72 -45.5 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.04 -39.71 55.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.13 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -57.73 -36.2 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -77.22 -37.44 53.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.63 -46.93 86.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.11 -24.66 54.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.549 -179.905 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.826 0.346 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.3 t -61.65 115.81 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.19 -43.34 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.589 ' HA ' HD13 ' A' ' 127' ' ' LEU . 7.8 ptpt -171.86 174.96 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.8 137.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -89.47 -47.92 7.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -166.96 163.88 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -117.46 152.34 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -159.79 146.74 16.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.4 ttm -74.72 142.59 44.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -141.96 144.46 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -116.17 150.77 36.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -136.78 143.42 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 113' ' ' ASN . 17.7 mt -81.63 141.72 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 116' ' ' SER . 14.9 mt -100.02 108.33 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.742 ' HG3' HD23 ' A' ' 87' ' ' LEU . 9.0 ttmt -79.89 126.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.23 143.58 33.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.21 119.07 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.43 -33.26 5.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -103.87 124.69 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -112.78 97.47 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 158.13 51.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -164.55 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.512 ' O ' HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -65.19 -11.72 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.39 16.42 5.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.808 ' HB3' HD22 ' A' ' 101' ' ' LEU . 2.1 t-20 -60.43 -163.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.77 115.51 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -81.78 118.93 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.714 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -112.06 142.75 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 58.5 m -85.13 175.43 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.98 -25.93 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.53 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.9 -30.41 40.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.5 m -54.74 -26.92 37.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -52.19 -29.77 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.66 -35.59 7.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.4 ' HB3' HD12 ' A' ' 127' ' ' LEU . 78.7 m -97.15 33.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -48.15 54.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.18 -35.0 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.3 mt -74.06 -45.68 47.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.65 -44.51 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.04 -40.13 54.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.59 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.78 -39.11 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -70.91 -33.2 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.77 -35.42 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -29.12 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -76.23 -30.41 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.862 0.363 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.6 t -60.39 115.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.76 -54.95 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' A' ' 127' ' ' LEU . 13.4 ptmt -159.87 174.83 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.27 136.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.447 HD23 ' HE2' ' A' ' 103' ' ' LYS . 0.6 OUTLIER -88.27 -57.23 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -142.18 165.4 27.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -121.53 162.33 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 -154.61 153.46 31.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.9 ttm -96.99 134.7 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.898 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -151.43 161.14 43.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -117.61 148.27 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -149.84 130.74 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 113' ' ' ASN . 3.0 tp -81.89 136.65 35.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.526 HD22 ' CG1' ' A' ' 83' ' ' VAL . 63.9 mt -100.46 142.88 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.447 ' HE2' HD23 ' A' ' 87' ' ' LEU . 5.7 ttmm -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -89.74 142.68 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.81 119.05 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 -31.81 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -102.61 128.56 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.12 98.11 7.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.23 158.86 51.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -6.22 43.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.35 15.21 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.645 ' HB2' HD21 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -53.77 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.9 t -80.59 129.77 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -88.34 154.23 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 t -139.74 135.48 33.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 t -89.07 169.6 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.3 -29.89 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.74 53.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.7 -28.3 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.3 m -55.8 -26.07 44.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.8 p -56.08 -26.88 51.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.23 -34.69 11.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.0 m -103.12 34.01 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -50.34 -42.41 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -52.86 -42.43 65.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.561 ' CD1' HG12 ' A' ' 83' ' ' VAL . 17.8 mt -72.47 -44.5 62.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.1 mm -51.72 -48.34 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -75.92 -39.86 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.31 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.01 -44.83 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -69.24 -36.26 77.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.08 -47.34 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.25 -25.98 66.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -81.74 -38.86 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.807 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.87 0.367 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.607 HG11 HD22 ' A' ' 102' ' ' LEU . 21.0 t -63.0 116.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -93.47 -49.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -154.75 141.17 18.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.9 t -69.1 123.91 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.762 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -71.21 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -156.38 175.85 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -127.14 162.38 26.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -148.86 161.76 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.9 ttt -99.61 146.19 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.878 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -115.77 154.85 28.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -126.91 146.95 50.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -146.05 129.86 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.658 HD23 ' CB ' ' A' ' 87' ' ' LEU . 4.4 tp -81.73 133.71 35.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.607 HD22 HG11 ' A' ' 83' ' ' VAL . 76.7 mt -96.26 140.1 31.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.762 ' HG3' HD23 ' A' ' 87' ' ' LEU . 2.8 tttt -110.66 128.37 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -73.2 135.3 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.98 119.64 11.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.16 -32.38 5.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -103.13 124.86 49.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.95 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.6 97.78 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.47 158.59 51.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.577 0.703 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -12.0 58.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.21 15.49 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.525 ' HB3' HD21 ' A' ' 101' ' ' LEU . 8.1 t-20 -57.53 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.42 136.81 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -103.62 154.36 19.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.34 144.91 49.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p -90.4 -178.78 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -59.84 -25.98 65.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.11 -36.91 61.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.44 -22.31 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 28.6 t -52.95 -28.79 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.3 t -80.12 -31.63 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -80.2 -41.82 11.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 127' ' ' LEU . 30.4 p -112.48 34.9 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -50.42 -40.69 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -53.78 -43.27 69.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' A' ' 124' ' ' CYS . 34.1 mt -72.55 -43.74 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 41.9 mm -51.73 -50.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.0 -41.23 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.69 -38.48 55.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -65.01 -53.6 43.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -58.74 -37.38 76.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -63.62 -28.6 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -68.32 -29.94 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -80.24 -28.36 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.619 HG22 HD13 ' A' ' 102' ' ' LEU . 20.6 t -61.51 116.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -96.34 -55.06 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -146.07 174.87 10.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.3 t -101.97 121.55 53.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.591 ' CB ' HD23 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -71.77 -61.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -154.61 174.03 15.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -123.5 161.41 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -147.15 144.89 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 35.7 mtp -80.0 144.77 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 179.873 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -127.71 162.62 26.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -127.43 147.97 50.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -148.16 133.03 18.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.591 HD23 ' CB ' ' A' ' 87' ' ' LEU . 2.8 tp -81.69 129.3 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.619 HD13 HG22 ' A' ' 83' ' ' VAL . 46.7 mt -87.16 143.4 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.555 ' HE2' HD23 ' A' ' 87' ' ' LEU . 6.1 ttmm -114.65 124.98 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -74.39 139.84 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 118.92 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.8 -32.23 5.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.86 124.9 49.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.986 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -108.64 97.55 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.64 159.06 50.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -166.16 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.34 -11.56 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.9 15.26 10.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.519 ' CB ' HD21 ' A' ' 101' ' ' LEU . 6.7 t-20 -59.3 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.59 130.02 34.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -100.23 134.11 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . 0.4 ' HB2' HD11 ' A' ' 102' ' ' LEU . 2.7 t -121.35 144.4 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -68.37 177.57 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.02 -27.21 60.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.7 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -68.1 -19.84 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.2 p -53.61 -25.34 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.0 t -68.21 -32.41 72.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.17 -41.84 4.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 29.1 p -101.92 33.42 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -42.95 53.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.56 -41.05 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.565 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.3 mt -72.74 -45.58 57.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.4 mm -51.86 -47.37 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.95 -39.84 55.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.27 -54.33 47.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -61.38 -37.6 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -56.62 -27.71 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.42 -28.03 63.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -78.16 -25.93 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.908 0.385 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.57 115.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.536 ' HA ' HD22 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -170.16 174.29 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 127' ' ' LEU . 94.2 t -79.43 124.47 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.614 ' CB ' HD23 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -70.9 -57.99 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -160.62 169.09 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -118.18 162.68 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -152.65 167.99 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 ptm -116.75 120.54 38.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -149.17 171.07 17.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.872 0.367 . . . . 0.0 110.932 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.44 168.68 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -144.14 128.22 17.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.834 HD21 ' HB2' ' A' ' 113' ' ' ASN . 5.6 tp -81.88 134.02 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.44 141.71 28.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.528 ' HG3' HD23 ' A' ' 87' ' ' LEU . 64.0 tttt -116.42 140.55 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -93.33 138.78 31.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -72.3 121.43 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.33 -32.23 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -102.93 124.71 48.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -107.94 97.41 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.82 159.08 49.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -67.41 -9.64 43.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -86.94 15.76 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.834 ' HB2' HD21 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -52.73 175.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -79.77 127.98 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -94.81 151.34 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 p -130.65 142.18 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.3 m -86.69 179.08 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.8 -30.02 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.83 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.74 -24.48 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 30.4 t -51.94 -32.03 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -80.82 -32.58 35.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -75.08 -39.72 36.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.417 ' HB3' HD12 ' A' ' 127' ' ' LEU . 75.6 m -104.45 36.37 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -44.32 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -51.92 -41.55 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.674 ' HB3' HG23 ' A' ' 86' ' ' VAL . 15.8 mt -72.53 -44.4 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.3 mm -52.14 -47.94 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.85 -39.95 55.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -56.3 -56.79 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -69.22 -27.51 65.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.18 -31.13 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.81 -29.48 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -88.06 -32.41 18.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.844 0.354 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.699 HG11 HD22 ' A' ' 102' ' ' LEU . 25.4 t -61.79 115.54 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.13 -33.6 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.497 ' HA ' HD13 ' A' ' 127' ' ' LEU . 16.2 ptmt -174.35 175.48 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.4 t -93.1 143.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.467 HD23 ' NZ ' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -90.53 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -144.91 175.35 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -124.47 139.2 54.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -138.65 154.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.6 mtp -89.85 151.09 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -118.14 137.0 53.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -124.13 133.49 53.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -120.04 147.07 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.589 HD12 ' CD1' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -81.77 130.69 35.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.699 HD22 HG11 ' A' ' 83' ' ' VAL . 58.4 mt -93.24 126.09 38.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.467 ' NZ ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.63 135.76 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -83.11 130.02 35.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.13 118.99 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 -32.73 5.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -103.26 124.67 49.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -97.72 96.67 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.28 158.95 48.58 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.633 0.73 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -8.88 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.64 16.85 11.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB2' HD21 ' A' ' 101' ' ' LEU . 5.6 t-20 -59.22 -169.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.8 t -79.73 139.82 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TRP . . . . . 0.589 ' CD1' HD12 ' A' ' 101' ' ' LEU . 20.5 m0 -99.84 148.36 24.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.6 p -129.3 128.76 43.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.801 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 t -85.3 176.72 8.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.31 -29.97 59.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.85 99.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.47 -27.06 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -53.42 -29.01 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.1 t -56.88 -24.9 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.71 -41.15 7.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 127' ' ' LEU . 28.3 p -107.3 37.36 2.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -50.38 -46.06 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.1 -39.55 59.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 85' ' ' LYS . 35.4 mt -72.42 -46.01 57.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.9 mm -52.51 -47.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.45 -39.37 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.48 83.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -56.16 -45.56 79.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.2 -42.8 88.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -58.13 -46.24 85.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.59 -29.3 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -80.24 -27.26 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.888 0.375 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.484 ' CG1' HD22 ' A' ' 102' ' ' LEU . 21.9 t -67.26 115.38 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -82.29 -54.98 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.73 ' HA ' HD22 ' A' ' 127' ' ' LEU . 7.4 ptmt -172.41 174.87 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.669 HG23 ' HB3' ' A' ' 127' ' ' LEU . 97.2 t -73.89 121.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.525 HD12 ' CD2' ' A' ' 101' ' ' LEU . 3.2 tm? -77.31 -59.4 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.497 ' HB3' HD13 ' A' ' 87' ' ' LEU . 18.3 ptmt -141.93 175.78 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -136.38 138.99 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -147.31 154.57 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpp -86.52 145.38 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -109.26 167.3 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -145.01 134.63 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.461 ' HB3' HG13 ' A' ' 86' ' ' VAL . 8.1 m-85 -120.36 138.83 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 113' ' ' ASN . 5.3 tp -82.42 135.68 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.493 ' HB2' HG23 ' A' ' 114' ' ' THR . 21.5 mt -87.15 143.37 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -114.45 147.08 39.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -94.53 132.01 39.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -66.8 118.86 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.39 -32.32 5.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -103.01 124.85 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -100.26 97.73 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.45 158.48 51.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -169.21 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.374 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -7.55 52.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.86 15.16 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' HB3' HD21 ' A' ' 101' ' ' LEU . 6.7 t-20 -58.48 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.493 HG23 ' HB2' ' A' ' 102' ' ' LEU . 14.6 t -80.64 134.03 35.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -97.46 152.5 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -132.27 128.11 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -60.74 -178.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -73.73 -31.79 63.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.58 -23.53 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -68.4 -19.9 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.85 -25.14 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.7 t -68.69 -32.17 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -102.1 -17.99 18.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.582 ' HB3' HD12 ' A' ' 127' ' ' LEU . 94.0 m -117.31 28.96 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.932 0.396 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -50.14 -51.86 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -51.63 -33.29 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.73 HD22 ' HA ' ' A' ' 85' ' ' LYS . 24.4 mt -73.88 -46.99 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.8 mm -56.06 -43.21 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.86 -40.38 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.92 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.86 -49.58 74.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -61.39 -33.44 73.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.76 -38.72 82.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.24 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -82.19 -28.15 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 t -130.23 124.24 32.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -99.93 43.58 1.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.6 tpp -56.16 135.72 53.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.65 -74.12 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -130.88 162.33 29.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 42.89 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -110.6 141.64 43.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -88.29 -74.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -150.11 166.98 28.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -135.18 117.78 15.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.21 136.91 48.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.46 170.24 8.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -83.91 -64.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 53.55 48.18 22.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -102.48 126.53 49.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.79 144.56 37.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -142.64 126.14 16.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -142.85 147.06 34.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -103.79 -178.45 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -128.34 124.11 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.74 -157.64 7.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 156.52 95.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -100.34 158.97 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -89.54 130.58 35.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -116.21 123.14 47.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -63.07 126.09 26.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -51.0 63.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 50.15 33.46 7.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.29 158.67 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -96.67 167.29 11.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.56 150.44 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 127' ' ' LEU . 18.2 t -69.57 114.32 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -82.46 -52.93 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -166.41 174.96 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 127' ' ' LEU . 94.3 t -77.44 141.23 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 -49.24 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -154.83 164.22 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -117.55 138.89 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -145.81 137.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.9 mtp -84.65 150.95 24.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.37 109.41 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -60.94 -26.61 67.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -71.85 -17.37 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.89 22.39 25.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.65 -80.24 0.86 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -154.42 -139.88 2.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.554 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -107.1 152.52 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -127.48 146.53 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -145.83 136.75 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.622 HD11 ' CH2' ' A' ' 115' ' ' TRP . 1.1 mt -81.74 142.45 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.59 125.22 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -98.36 119.67 37.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -74.6 133.3 42.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.12 122.98 16.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.62 -33.03 5.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -103.55 124.69 49.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -110.34 96.52 6.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.65 159.2 47.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.02 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -68.24 -9.34 46.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.78 16.05 7.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.526 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.6 t-20 -59.64 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.488 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -84.67 120.96 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.622 ' CH2' HD11 ' A' ' 101' ' ' LEU . 35.1 m95 -90.13 119.09 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 140.82 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.0 p -75.93 169.48 18.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -55.17 -27.15 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.05 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.5 -20.74 64.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.4 -32.73 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -70.42 -22.63 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -96.02 -41.83 3.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.45 ' HB3' HD12 ' A' ' 127' ' ' LEU . 59.7 m -113.22 39.3 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -50.21 -47.96 54.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.97 -37.06 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 85' ' ' LYS . 25.3 mt -73.03 -49.1 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.9 mm -51.69 -45.27 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.88 -39.53 56.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.96 -47.0 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -55.47 -36.39 66.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -75.54 -39.45 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -61.09 -41.61 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -27.12 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -76.07 -33.42 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 102.8 29.16 5.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -99.7 139.9 14.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -72.28 159.6 84.97 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 163.03 39.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.63 156.83 2.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 140.13 41.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 55.9 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -118.35 -66.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.6 m80 54.16 49.07 19.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -139.89 135.39 32.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -116.84 74.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.25 58.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -143.02 136.86 28.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t 52.11 44.26 29.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -123.88 113.56 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p 55.71 26.58 9.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -84.58 65.83 9.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 114.54 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.2 mt -52.15 155.8 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.55 92.4 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.99 102.64 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -113.71 139.6 48.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.94 133.51 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.045 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -83.58 -69.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 59.72 30.57 20.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -82.41 150.73 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -172.63 136.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.31 147.68 4.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.96 -38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.568 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -146.66 156.89 43.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -120.52 144.32 48.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -93.63 138.37 31.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -125.32 150.67 46.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -113.59 137.16 51.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -126.22 155.76 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.23 137.66 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -83.77 156.4 22.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.37 150.09 31.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.1 t -62.28 115.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.09 -52.23 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.596 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -170.66 175.15 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 127' ' ' LEU . 98.4 t -70.71 143.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -98.26 -36.96 9.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -168.15 162.9 13.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -117.65 138.89 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -140.49 144.06 35.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 ttm -89.5 109.61 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.24 110.1 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -83.54 -29.29 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -91.39 -17.46 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.44 -27.52 17.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.07 36.42 35.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -163.52 -131.0 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.452 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -130.77 157.76 41.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -130.8 144.42 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -146.21 134.11 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.598 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.1 mt -81.78 142.35 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.939 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.23 127.83 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' HB2' HD23 ' A' ' 87' ' ' LEU . 31.7 tttm -98.86 145.54 26.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -98.29 134.53 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.72 121.59 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.65 -32.73 5.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -103.43 124.69 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.919 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -106.77 96.78 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.18 158.9 48.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -4.93 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -89.24 15.95 8.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.556 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -58.34 -171.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.463 ' C ' HD23 ' A' ' 101' ' ' LEU . 8.0 t -85.57 126.63 34.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.598 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 41.5 m95 -93.51 117.04 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.5 p -99.53 142.73 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -79.2 -178.76 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.53 -25.73 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.96 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.34 -27.11 52.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 63.4 m -59.83 -24.07 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -52.06 -30.99 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.25 -29.86 3.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.81 24.95 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.96 -51.46 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.4 -35.1 37.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' ' 85' ' ' LYS . 21.4 mt -72.27 -47.89 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.29 -46.24 68.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.15 -39.92 65.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.16 -51.28 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -54.08 -48.62 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -64.8 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.29 -27.15 64.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.38 -29.73 70.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -99.13 25.97 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.01 22.83 60.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.89 173.21 18.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.447 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -97.85 159.94 29.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 175.54 7.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.12 153.63 79.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.78 68.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.34 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.811 -179.81 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.4 t -111.72 46.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 58.02 46.79 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mtt -141.76 108.06 5.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -101.93 37.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t 62.28 32.66 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -59.25 117.8 5.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 m -121.28 135.5 55.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 t -81.0 141.8 34.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -69.04 108.16 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -91.92 97.81 11.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -118.47 116.77 27.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.2 mt -95.41 129.21 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -90.45 164.68 14.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -107.42 -11.85 15.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 m120 57.88 32.85 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.66 144.73 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -128.63 115.16 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -80.87 96.34 6.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -105.56 124.01 48.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -129.26 125.15 36.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.38 164.31 45.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.65 77.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.98 147.07 35.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -129.04 123.08 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -100.34 156.17 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.9 26.2 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -157.48 167.09 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -121.53 107.11 12.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -124.53 161.51 25.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -81.96 114.6 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 p -136.28 144.82 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 127' ' ' LEU . 20.7 t -61.81 116.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -83.1 -53.11 6.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.586 ' HA ' HD13 ' A' ' 127' ' ' LEU . 3.1 pttm -169.18 175.07 5.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.555 HG23 ' HB3' ' A' ' 127' ' ' LEU . 43.8 t -73.65 144.17 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -97.66 -38.45 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -172.96 152.9 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -117.56 138.71 51.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.79 156.58 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.5 ptm -97.19 154.13 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.64 142.41 49.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.051 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -79.69 -29.76 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -70.24 -17.46 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.93 31.5 5.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.57 -78.52 0.82 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -170.35 -106.69 0.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.54 151.32 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -138.68 134.94 34.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -118.29 132.96 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.466 HD22 ' CB ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -81.77 142.47 32.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 116' ' ' SER . 8.9 mt -99.06 131.48 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 123.68 47.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -74.2 136.61 42.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -65.3 123.76 20.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.19 5.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.922 0.392 . . . . 0.0 110.928 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.98 96.26 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.57 158.71 48.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -165.35 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -6.07 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -90.62 15.99 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.466 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -59.55 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.424 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.2 t -82.05 128.9 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.43 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 36.4 m95 -95.66 116.97 29.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.422 ' HB3' HD11 ' A' ' 102' ' ' LEU . 12.6 p -102.62 130.55 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.2 m -54.97 174.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.801 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.74 -32.47 72.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.94 -23.34 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.44 -19.78 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 7.5 p -55.8 -23.7 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.7 t -69.34 -22.06 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -105.12 -19.76 10.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.542 ' HB2' HD12 ' A' ' 127' ' ' LEU . 23.5 p -126.47 34.49 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -49.89 -52.41 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -51.45 -33.34 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 85' ' ' LYS . 24.9 mt -73.68 -46.7 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.37 -43.05 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.86 -39.84 55.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -58.95 -39.93 83.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -70.78 -30.98 67.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -64.74 -29.07 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.41 -27.69 68.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -84.76 -30.15 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 102.78 41.9 2.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -71.86 168.67 51.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -82.59 160.45 61.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 140.09 41.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -120.05 73.69 19.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.643 0.735 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.21 17.13 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.853 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.3 t -130.56 172.5 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -146.26 168.51 20.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ptp -138.49 139.71 38.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -114.23 30.89 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.0 p -78.5 164.35 24.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.15 163.16 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 m -137.03 115.04 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 p -135.71 151.74 50.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 t -114.05 159.01 20.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -114.41 -43.24 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -114.93 144.09 44.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -130.36 127.25 39.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.545 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -137.19 178.73 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -157.17 158.39 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -96.81 148.43 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.77 23.61 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -52.5 119.99 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -154.33 148.02 25.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 52.08 54.89 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -71.81 129.51 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.93 -143.97 9.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.98 47.57 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -88.11 125.15 34.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -80.77 169.9 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -154.73 131.25 10.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -115.56 -27.97 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -149.77 156.23 41.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -68.94 160.93 29.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -93.08 173.03 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -79.66 107.1 12.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.9 t -136.29 150.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.662 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.1 t -71.36 114.85 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -112.53 -19.29 12.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.02 175.83 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.5 t -109.8 138.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -53.63 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -161.92 171.99 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -124.93 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -134.27 147.27 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.7 mtt -89.7 130.3 35.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.71 143.56 41.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -83.21 -35.06 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 18.43 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.18 18.34 76.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.78 -27.99 37.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.87 -109.66 0.79 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.454 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -138.46 136.83 36.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -118.78 142.66 47.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -139.23 140.85 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.678 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.3 mt -81.77 137.45 35.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.512 HD22 HG21 ' A' ' 83' ' ' VAL . 11.6 mt -88.39 128.03 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 130.38 44.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -85.6 131.97 34.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.55 121.27 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.02 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -103.55 124.71 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.08 96.79 6.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.07 158.5 49.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.08 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.1 m -71.84 -6.2 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -89.87 15.91 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.56 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t-20 -59.27 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.412 ' O ' HD23 ' A' ' 101' ' ' LEU . 6.9 t -87.02 129.8 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.678 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 61.1 m95 -95.48 117.85 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -104.15 147.25 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.9 t -86.04 -178.75 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -68.03 -17.87 64.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.29 -36.24 81.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -80.48 -26.39 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 t -52.69 -28.5 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -106.49 -22.82 7.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 31.5 m -103.4 25.11 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -50.64 -49.43 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -51.32 -36.04 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.662 ' CD1' HG12 ' A' ' 83' ' ' VAL . 24.0 mt -72.97 -49.9 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.9 mm -51.78 -44.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -75.98 -39.19 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.14 86.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.61 -37.08 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.65 -39.65 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -55.9 -36.92 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.04 -26.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -74.97 -27.35 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.62 36.14 2.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.519 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.42 156.76 32.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -96.88 159.31 31.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 176.19 7.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 51.8 74.59 0.77 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.0 20.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.0 m -140.97 162.82 34.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.826 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -117.03 47.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.2 ptp -151.33 152.66 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -122.69 95.31 4.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.1 m -104.48 131.98 51.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 56.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 t -85.19 64.15 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -63.8 111.86 2.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 t -164.69 122.12 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -134.25 51.27 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -80.99 130.89 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 tp -140.38 114.31 8.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.98 71.35 9.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.71 80.77 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -134.9 168.27 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.6 23.58 13.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -71.79 143.21 49.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -107.14 48.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -110.96 140.35 45.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -155.08 165.01 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.61 132.79 3.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.81 -32.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -132.25 127.9 36.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -107.5 -48.32 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.22 106.45 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -111.22 26.98 10.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -108.23 176.86 4.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.16 128.78 35.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -105.99 150.92 25.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -81.71 116.05 21.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.21 149.86 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.439 HG12 ' CD1' ' A' ' 127' ' ' LEU . 13.2 t -68.72 115.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -82.01 -54.9 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.661 ' HA ' HD13 ' A' ' 127' ' ' LEU . 11.3 ptmt -167.7 174.73 7.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 127' ' ' LEU . 81.4 t -75.91 138.58 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.444 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -94.14 -37.4 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -166.76 162.07 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -117.53 138.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -146.25 164.59 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 tpp -102.02 120.7 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.12 127.69 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -83.94 -24.06 30.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -17.49 63.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.21 -11.29 51.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.15 -28.1 25.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.93 -118.9 2.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -102.3 169.73 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.3 134.93 18.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -130.65 140.23 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.589 HD11 ' CH2' ' A' ' 115' ' ' TRP . 1.1 mt -81.85 141.81 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.51 127.83 41.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' HG3' HD23 ' A' ' 87' ' ' LEU . 34.6 tttp -100.91 117.98 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -73.53 133.59 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.98 124.62 21.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.08 -33.27 4.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -103.87 124.68 49.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.71 96.03 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.93 159.15 46.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.64 0.734 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.2 m -68.77 -8.77 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.0 16.1 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.532 ' HB3' HD22 ' A' ' 101' ' ' LEU . 1.6 t-20 -59.64 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.46 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -83.97 123.09 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.589 ' CH2' HD11 ' A' ' 101' ' ' LEU . 33.3 m95 -92.92 118.58 31.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.52 137.28 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.9 p -59.24 178.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.86 -23.46 31.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.28 -19.84 63.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 p -55.33 -24.28 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -72.62 -27.97 62.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.3 -41.86 4.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.87 38.26 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -40.51 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.11 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.661 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.3 mt -75.22 -44.75 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.0 mm -57.79 -43.42 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.98 -40.67 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.64 -47.86 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.74 -44.18 85.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -68.1 -35.14 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.55 -31.22 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.45 -32.81 74.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.76 -28.59 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.17 32.48 4.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -77.67 165.32 52.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 12.0 mmt-85 -79.17 159.46 72.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.66 54.76 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.95 160.5 15.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.7 28.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.28 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.875 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 m -147.51 176.35 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -94.79 168.38 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.8 ptp -144.48 156.33 44.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -108.79 48.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 t -153.09 128.89 10.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 56.5 35.89 26.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 p -77.98 147.06 35.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 m -76.14 -38.71 56.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t 55.13 41.06 31.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -90.37 132.62 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 121.41 35.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.0 mt -95.58 84.56 3.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.75 174.03 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.29 147.39 49.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -119.09 165.2 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.08 121.57 24.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.48 149.62 34.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -144.46 143.8 31.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -160.86 118.09 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -153.73 135.37 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 151.61 123.18 1.05 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.54 39.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -110.26 68.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -122.03 64.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -117.19 92.85 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -138.76 115.78 10.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -149.33 167.62 25.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.3 118.64 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -134.8 179.11 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -94.68 125.31 39.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.21 124.96 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.7 p -54.79 116.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -94.32 -48.56 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -157.74 174.18 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG21 HD13 ' A' ' 128' ' ' ILE . 90.7 t -74.64 138.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.622 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -84.23 -50.28 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -156.76 164.53 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -117.6 140.59 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -149.94 140.67 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ptm -103.3 136.15 43.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.6 135.8 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.17 -26.49 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -17.46 63.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.8 19.58 10.17 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.75 -91.43 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.8 -106.48 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -138.94 155.99 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -139.45 153.22 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -145.63 135.94 23.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.579 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.2 mt -81.91 142.47 32.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 116' ' ' SER . 8.5 mt -97.03 112.86 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.622 ' HG3' HD23 ' A' ' 87' ' ' LEU . 28.7 tttt -86.11 127.23 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -78.91 132.59 36.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -61.57 123.6 18.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.14 5.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -103.65 124.7 49.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.48 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.69 158.71 47.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.26 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.643 2.228 . . . . 0.0 112.298 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.59 -6.23 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.7 16.09 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.544 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -59.5 -168.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.9 t -83.63 124.98 31.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.579 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 76.2 m95 -91.4 116.21 28.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.549 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -101.07 147.06 26.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 m -74.51 163.04 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -60.96 -24.23 65.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.05 51.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -19.91 63.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -55.05 -35.02 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -17.1 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.33 -41.9 1.33 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.4 m -108.87 37.19 2.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -50.3 -47.44 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.23 -37.0 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 85' ' ' LYS . 16.5 mt -73.06 -48.97 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.443 HD13 HG21 ' A' ' 86' ' ' VAL . 40.6 mm -53.21 -45.81 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.37 -39.53 62.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.05 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.15 -34.9 77.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -72.35 -35.7 68.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.2 -25.84 67.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.85 -25.99 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -85.07 -26.27 27.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.62 42.71 1.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -96.05 176.96 33.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -90.78 159.45 40.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.743 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 164.8 33.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -85.16 160.55 54.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.688 0.756 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 131.38 21.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.865 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -160.8 147.42 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.402 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -141.93 122.39 14.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.1 tpp -144.01 141.87 30.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -9.73 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.98 55.47 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -76.72 110.4 11.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -113.42 176.62 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 m -144.25 139.98 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 p -164.26 149.43 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -167.26 147.57 5.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -148.32 123.52 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 tt -132.23 130.86 41.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.63 177.99 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -118.24 171.26 8.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -128.42 140.43 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.58 156.69 27.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -142.45 160.61 39.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -157.83 126.85 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -125.93 137.53 53.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -156.36 148.31 23.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.83 109.89 0.32 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.57 75.57 0.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.547 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -103.15 96.99 7.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.78 144.18 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -102.74 105.49 15.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -107.57 50.75 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -55.91 164.29 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.11 105.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -123.91 163.59 20.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -107.1 116.37 31.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.21 146.07 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.3 t -61.31 116.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -79.07 -51.05 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.573 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -167.86 175.26 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 127' ' ' LEU . 90.2 t -75.76 144.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.144 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.541 HD23 ' CG ' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -97.37 -41.36 8.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -163.19 160.16 23.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -117.48 138.89 51.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 47.9 mmt-85 -150.61 148.55 28.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 ptp -103.42 142.75 33.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.88 132.69 47.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -61.04 -35.04 75.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -74.03 -17.46 60.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.54 38.56 8.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.65 -64.35 1.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.75 -135.8 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.52 163.73 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.81 143.43 32.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.467 ' CG ' HD12 ' A' ' 128' ' ' ILE . 6.6 m-85 -138.51 138.25 37.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 114' ' ' THR . 0.5 OUTLIER -81.68 142.46 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.72 140.49 31.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.541 ' CG ' HD23 ' A' ' 87' ' ' LEU . 7.2 tmtt? -113.39 147.36 37.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.73 128.49 46.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -63.07 123.85 19.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.69 -32.66 5.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -103.39 124.84 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.926 0.393 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.65 96.62 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 159.09 48.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -165.28 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.4 m -75.0 -3.58 33.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -89.75 16.0 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.547 ' CB ' HD22 ' A' ' 101' ' ' LEU . 4.5 m-20 -55.96 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.74 ' O ' HD23 ' A' ' 101' ' ' LEU . 11.1 t -83.81 131.82 34.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.723 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 36.4 m95 -97.55 121.01 38.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -101.0 132.01 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.6 p -67.58 -179.01 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -60.86 -28.59 68.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.3 53.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.38 -21.81 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.59 -39.61 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.8 t -68.67 -27.85 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.96 -41.91 8.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.469 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.0 p -114.71 41.31 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -49.91 -49.24 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -51.72 -36.98 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.575 ' HB3' HG23 ' A' ' 86' ' ' VAL . 29.3 mt -72.26 -47.82 47.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 100' ' ' TYR . 46.2 mm -52.98 -46.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.97 -40.19 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.91 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -54.46 -36.75 64.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -74.54 -35.83 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -62.41 -29.87 70.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.49 65.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -107.62 24.9 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.89 26.34 45.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -69.33 150.43 49.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -99.12 159.13 30.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.78 4.24 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -101.19 160.52 26.4 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.69 0.757 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.12 5.49 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.852 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.6 p -141.35 124.75 16.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.831 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -164.26 155.44 15.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.4 ptp -153.92 141.6 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.49 81.25 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.2 p -122.55 -35.88 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -81.71 106.74 13.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -117.11 -55.99 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -158.28 135.63 10.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t -149.22 124.53 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -166.89 113.68 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -91.81 69.53 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.5 tp 50.63 51.79 16.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -73.14 114.51 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -77.77 89.46 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -98.55 62.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.53 163.23 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 130.71 34.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -112.97 -32.03 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -92.79 101.84 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -114.08 145.41 41.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.84 129.34 5.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.0 63.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -86.93 113.14 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -126.76 143.87 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -85.53 125.96 33.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -96.21 70.02 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -174.36 167.5 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.6 t0 58.43 53.3 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -110.44 176.19 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -82.43 107.6 15.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.1 p -136.33 144.25 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.673 HG12 ' CD1' ' A' ' 127' ' ' LEU . 9.5 t -68.06 114.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -111.73 -19.28 12.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.493 ' N ' HD13 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -155.95 175.45 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 127' ' ' LEU . 98.6 t -105.96 122.15 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.703 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -70.81 -31.03 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.82 179.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -137.58 138.8 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -143.28 171.15 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 ttp -110.63 141.85 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.79 117.05 20.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -77.61 -19.6 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -69.83 -17.44 63.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.64 -13.15 53.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.16 -27.82 24.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.89 -106.87 0.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -133.15 159.66 39.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.91 133.35 26.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.56 178.69 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -117.13 132.14 56.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.616 HD11 ' OG ' ' A' ' 116' ' ' SER . 42.5 mt -85.69 144.0 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.453 ' HD2' HD22 ' A' ' 87' ' ' LEU . 36.6 tttt -123.76 130.1 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -86.97 141.18 28.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.5 126.25 32.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.75 -33.44 4.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.67 124.7 49.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -100.25 95.36 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.12 159.52 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.69 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.43 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -90.87 15.25 11.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.466 ' CB ' HD21 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -56.65 -177.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.601 ' CG2' HD12 ' A' ' 102' ' ' LEU . 5.5 t -85.4 137.88 32.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -104.71 127.59 52.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.616 ' OG ' HD11 ' A' ' 102' ' ' LEU . 1.5 m -102.55 146.88 27.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.4 m -83.15 -178.7 7.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -64.02 -42.46 97.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.39 -23.54 49.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -20.58 54.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.7 m -62.14 -17.45 57.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.3 t -63.39 -16.27 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.41 -41.81 1.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.59 28.32 5.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -49.58 -47.81 49.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -51.65 -40.45 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.673 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.8 mt -69.94 -45.97 66.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.8 mm -52.76 -48.04 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -72.42 -38.44 68.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -55.71 -38.47 69.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -69.86 -39.83 76.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -65.98 -28.35 68.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.17 -26.11 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -89.11 -27.52 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.61 38.58 2.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -86.27 148.7 22.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -76.9 159.43 78.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 174.96 8.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.254 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -126.93 157.58 71.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.752 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 141.77 45.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.274 . . . . 0.0 112.296 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -168.26 155.56 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -66.83 133.54 50.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.2 mtt -133.9 117.08 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -89.06 -51.26 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t 58.71 57.36 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -18.5 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -112.38 128.87 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.1 t -124.01 156.2 36.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.9 p -113.86 132.28 55.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -97.38 92.88 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.24 107.23 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 tp -59.08 132.88 55.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -71.99 155.94 39.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -130.69 110.0 11.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -121.11 133.2 55.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.2 156.38 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.079 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -106.77 168.57 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -131.44 33.05 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -52.05 160.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -111.38 93.8 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.07 -70.54 2.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.43 69.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.33 158.89 15.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -73.82 157.46 36.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -57.02 144.57 33.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -76.13 126.84 31.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -121.27 164.96 16.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -126.4 76.51 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -81.24 170.58 15.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -87.65 107.01 18.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.24 150.14 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.6 t -66.39 116.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -102.41 -26.17 13.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.454 ' CA ' HD13 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -166.76 176.01 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.38 140.01 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.3 -52.08 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -161.43 167.33 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -119.63 139.1 52.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -138.35 142.7 39.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 39.3 ttm -97.64 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.24 115.11 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -74.06 -47.73 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 -17.21 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.82 -19.81 39.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.0 68.95 1.42 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.17 -141.6 3.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -137.66 147.55 45.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -142.03 142.31 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.56 141.8 46.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -83.99 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 116' ' ' SER . 18.7 mt -89.95 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -108.56 118.29 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -74.02 132.18 42.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.85 124.92 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 -33.41 4.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.96 124.52 49.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.93 95.77 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.17 159.06 45.77 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -9.77 44.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.87 16.55 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.497 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.5 t-20 -59.01 -168.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.68 127.59 33.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.593 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 37.2 m95 -97.49 117.21 31.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.482 ' HB2' HD11 ' A' ' 102' ' ' LEU . 23.3 t -109.22 140.13 43.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.7 m -57.36 178.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -73.28 -26.89 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.18 -23.42 35.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.61 -19.7 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 8.0 p -54.8 -24.24 21.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.1 t -74.7 -29.94 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.01 -37.76 9.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.4 p -118.78 42.59 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -49.48 -50.11 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.63 -37.61 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.639 ' CD1' HG12 ' A' ' 83' ' ' VAL . 24.6 mt -72.24 -46.16 57.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.0 mm -53.83 -46.26 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.65 -39.51 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.69 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -57.73 -33.62 68.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -76.86 -38.06 54.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.24 -44.61 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.15 -26.17 66.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -73.1 -26.21 61.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.62 36.88 2.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.51 177.66 51.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -70.48 160.38 81.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.57 0.7 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 171.08 15.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -132.64 157.55 78.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 133.09 24.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.743 2.295 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.816 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m 62.47 27.1 16.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.807 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -113.94 129.54 56.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.2 tpp -119.8 120.69 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -102.47 101.1 11.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.7 t -86.44 144.5 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.19 161.02 38.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -92.58 62.13 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.8 p -106.14 172.84 6.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.9 m -129.25 111.08 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -126.12 151.61 47.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -85.96 136.63 33.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.21 144.19 55.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 155.42 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -132.98 123.55 26.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 61.52 27.84 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.1 23.56 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -95.0 -26.25 16.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -95.71 41.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -86.01 -62.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -167.1 145.89 5.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.14 66.75 0.31 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.73 78.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -111.33 141.94 44.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 57.24 50.9 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -96.47 150.03 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -130.6 61.26 1.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -110.19 163.72 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -147.73 158.55 44.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.5 139.35 26.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -86.23 110.72 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.35 150.17 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.552 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.4 t -68.9 115.44 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -96.67 -52.74 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.62 175.53 10.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.609 HG23 ' HB3' ' A' ' 127' ' ' LEU . 99.1 t -93.35 140.24 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -49.84 6.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -155.64 165.28 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -117.57 147.03 43.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -145.29 169.83 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.1 ttt -117.49 149.77 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.0 132.86 45.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -65.51 -31.78 73.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -82.34 -17.37 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.65 19.19 35.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.79 -65.72 2.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -152.77 -123.4 0.98 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -140.84 145.45 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -107.74 151.98 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -145.55 135.43 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.634 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.3 mt -81.59 141.05 34.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.629 HD11 ' OG ' ' A' ' 116' ' ' SER . 14.5 mt -93.78 133.25 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -104.51 118.91 37.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -73.33 131.42 41.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.95 123.08 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.13 -33.03 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -107.21 96.56 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.25 158.33 49.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -70.72 -7.14 42.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.33 16.08 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.551 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t-20 -58.74 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.429 ' C ' HD23 ' A' ' 101' ' ' LEU . 9.7 t -85.66 127.04 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.634 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 48.1 m95 -93.69 113.82 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.629 ' OG ' HD11 ' A' ' 102' ' ' LEU . 0.5 OUTLIER -99.74 143.64 29.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.814 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.7 t -83.16 -178.63 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.74 -25.08 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.27 -32.82 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -26.31 37.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.59 -38.84 56.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -56.7 -35.32 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.52 16.12 31.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 60.9 m -143.0 19.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -50.15 -53.16 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -50.6 -33.12 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.609 ' HB3' HG23 ' A' ' 86' ' ' VAL . 11.2 mt -74.05 -48.81 27.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.47 HD13 HG21 ' A' ' 86' ' ' VAL . 41.9 mm -53.89 -43.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.96 -40.52 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -52.61 -48.76 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -66.1 -37.02 84.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -57.94 -28.07 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -71.98 -26.68 62.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -26.66 34.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.37 42.49 2.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.08 160.33 36.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.24 160.44 28.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 110.826 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.41 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.83 67.84 78.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 127.26 14.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.853 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -57.6 119.49 6.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -102.77 143.48 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.4 tpt -127.49 128.37 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -122.28 30.31 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.1 p -78.0 171.71 14.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.71 159.33 40.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 p -121.58 136.11 54.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -101.46 154.87 18.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 m -150.57 152.69 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -92.11 142.44 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -105.55 153.89 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.98 119.16 32.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 169.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -112.19 136.54 51.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -110.61 111.77 23.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.58 106.71 9.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -69.5 143.55 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -98.92 169.47 9.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -139.36 176.6 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -170.17 140.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.52 172.12 24.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.96 82.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.535 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -104.29 172.7 6.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.72 66.22 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -93.61 159.64 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -87.77 172.71 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -140.28 167.29 22.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 t0 55.39 44.25 27.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -128.02 146.04 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -72.74 105.35 4.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.29 151.17 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 127' ' ' LEU . 15.2 t -69.46 115.23 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -88.95 -54.97 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -156.72 176.05 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 127' ' ' LEU . 18.0 t -85.23 129.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.618 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -80.95 -31.43 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -177.18 164.3 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -117.47 139.28 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -155.14 152.95 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.2 ptm -99.21 157.71 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.47 ' HB3' ' H ' ' A' ' 97' ' ' GLY . . . -57.58 120.03 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -60.75 -32.35 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -73.64 -17.41 61.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.62 32.33 24.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.32 -25.94 9.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.47 ' H ' ' HB3' ' A' ' 92' ' ' ALA . . . -177.44 -129.34 1.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -145.15 162.17 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -144.8 179.3 7.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.484 ' CD1' HD12 ' A' ' 128' ' ' ILE . 91.2 m-85 -147.37 170.56 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -110.13 136.49 49.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.631 HD12 HG23 ' A' ' 114' ' ' THR . 9.9 mt -97.91 143.89 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.584 ' HG3' HD23 ' A' ' 87' ' ' LEU . 28.4 tttt -123.81 124.44 42.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -73.64 140.31 46.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -75.38 128.89 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.58 -34.0 4.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -104.35 124.69 49.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.98 94.48 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.81 159.26 43.59 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.604 0.716 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -166.08 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 -1.24 39.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -96.51 16.0 19.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -168.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.631 HG23 HD12 ' A' ' 102' ' ' LEU . 14.1 t -80.21 134.86 36.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -102.54 140.39 36.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.53 ' HB2' HD11 ' A' ' 102' ' ' LEU . 6.0 t -118.69 147.08 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.9 m -73.44 -178.71 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -68.84 -25.64 64.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.0 -26.19 59.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.49 -20.37 43.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.68 -36.13 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -68.24 -26.95 65.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -88.91 -41.85 5.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.496 ' HB3' HD12 ' A' ' 127' ' ' LEU . 24.0 m -106.69 33.13 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -50.03 -50.02 48.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -51.27 -36.24 41.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.548 ' HB3' HG23 ' A' ' 86' ' ' VAL . 26.1 mt -73.03 -47.8 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' A' ' 100' ' ' TYR . 46.8 mm -53.08 -44.87 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.92 -39.22 56.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.85 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.069 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -76.79 -36.61 56.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.12 -31.69 61.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.45 -30.87 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -76.23 -27.33 56.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.801 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 106.76 33.28 3.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -86.09 176.68 48.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -90.72 160.4 38.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.711 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.323 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -98.98 160.48 27.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 163.39 38.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.626 2.217 . . . . 0.0 112.395 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -101.99 172.35 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -101.01 -69.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.0 ttp -170.92 146.56 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -95.33 104.45 16.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -101.2 75.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -72.85 101.62 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.4 t -79.23 84.33 5.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 m -87.88 72.35 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.9 p -84.13 116.79 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -68.13 146.44 53.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -63.49 112.77 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 mt -130.6 175.11 9.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -106.13 102.71 12.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -89.73 158.43 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -112.3 -48.48 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.87 161.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -77.6 137.91 38.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.09 179.66 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -128.63 107.6 9.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -103.64 161.55 13.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.81 -96.56 2.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 150.15 91.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -90.19 148.11 23.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.338 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -127.39 138.65 53.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -104.04 144.66 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -88.07 85.6 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -122.32 171.31 9.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.64 167.25 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -110.3 141.69 42.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -97.61 110.96 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.3 141.65 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 127' ' ' LEU . 27.8 t -54.9 117.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -96.17 -34.73 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.75 ' HA ' HD13 ' A' ' 127' ' ' LEU . 22.2 ptmt -171.51 175.96 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.8 t -91.3 144.17 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 88' ' ' LYS . 3.3 tm? -98.34 -39.67 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.503 ' HB2' HD13 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -168.65 158.06 8.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -117.54 139.0 51.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -143.07 142.34 31.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.73 110.75 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.21 128.23 35.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -83.13 -38.15 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -85.85 -17.44 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.76 -54.33 2.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.72 29.62 8.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -145.36 -132.65 2.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -142.22 151.73 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.924 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -138.06 137.09 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.52 ' CG ' HD12 ' A' ' 128' ' ' ILE . 8.7 m-85 -131.45 137.51 48.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -82.9 136.71 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.78 142.57 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -111.31 145.91 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -101.12 120.48 40.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -51.64 125.74 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.47 -33.81 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -104.39 124.45 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.926 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.56 95.99 6.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 157.92 48.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.84 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 m -69.88 -7.27 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -88.67 16.48 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.514 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -57.07 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.453 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.5 t -80.55 125.43 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -92.93 114.16 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.8 p -99.61 146.53 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.1 p -89.34 -178.74 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.93 -30.18 23.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.76 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -25.63 38.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 47.3 t -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -71.07 -27.02 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -78.5 -41.7 15.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 19.9 m -119.8 41.49 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -50.48 -44.56 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.8 -41.25 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.75 HD13 ' HA ' ' A' ' 85' ' ' LYS . 14.7 mt -72.4 -45.33 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 100' ' ' TYR . 49.1 mm -51.75 -47.05 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -76.05 -39.91 54.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.06 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.73 -32.39 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -80.77 -37.96 29.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -53.51 -29.22 35.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -28.43 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -69.9 -26.52 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.59 34.05 3.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.21 178.46 22.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -78.32 159.5 74.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -172.71 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.229 . . . . 0.0 112.361 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 51.7 74.51 0.78 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.688 0.756 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -177.59 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.816 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 m -83.48 161.84 21.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -150.84 164.25 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.14 151.03 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -75.93 -74.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 t -165.08 159.48 17.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -93.13 103.59 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.8 m -106.61 65.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 p -91.32 117.12 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 m -111.5 115.25 28.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.67 101.56 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.18 125.54 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.4 mt -95.19 97.83 10.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -61.76 -56.04 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 55.43 44.48 27.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -99.02 179.78 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.81 120.33 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -156.2 170.27 22.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 52.81 42.06 31.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -80.35 -30.74 38.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.38 162.16 30.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.95 141.13 9.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.91 54.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -101.42 113.85 27.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -115.63 157.26 24.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -137.41 143.38 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -154.22 133.61 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -121.88 163.5 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.13 179.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -142.53 163.68 32.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -89.1 161.61 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.3 142.25 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.5 t -59.24 116.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -84.26 -50.43 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.692 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.5 OUTLIER -172.36 175.76 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.3 t -80.0 141.6 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.658 HD13 ' HG3' ' A' ' 88' ' ' LYS . 3.3 tm? -93.57 -49.41 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.658 ' HG3' HD13 ' A' ' 87' ' ' LEU . 69.8 mttt -156.59 162.78 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -118.67 139.03 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -148.0 147.85 30.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.4 ttm -71.57 147.99 47.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.56 138.7 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -60.81 -28.47 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -17.43 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.38 38.92 16.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.8 -28.68 3.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -149.19 -147.25 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -122.83 157.18 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -128.47 134.95 48.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -136.59 135.2 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD22 ' CB ' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -81.78 142.27 32.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 mt -101.06 136.73 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.405 ' NZ ' HD23 ' A' ' 87' ' ' LEU . 25.5 mtpp -103.61 146.37 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -102.54 125.37 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -51.58 120.96 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 94.52 -33.8 5.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.38 124.47 49.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -111.45 96.54 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.38 157.85 49.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -164.51 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.3 -10.81 46.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.1 16.89 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -58.47 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.65 114.39 19.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.462 ' CH2' HD11 ' A' ' 101' ' ' LEU . 43.4 m95 -83.99 115.49 22.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -107.2 146.91 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.6 t -88.26 -178.77 5.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.45 -24.04 53.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.26 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.77 -23.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.91 -34.1 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -67.47 -19.15 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -101.98 -41.74 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.44 41.92 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -45.53 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.54 -37.5 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.692 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.5 mt -73.25 -48.84 31.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.1 mm -51.72 -45.5 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.04 -39.71 55.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.13 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -57.73 -36.2 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -77.22 -37.44 53.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.63 -46.93 86.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.11 -24.66 54.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 101.27 35.75 4.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.549 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.32 158.15 37.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.5 mpp_? -88.83 160.19 44.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 175.86 7.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.607 2.205 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.47 157.5 77.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.634 0.73 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.56 40.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -161.96 127.04 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.391 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -164.71 136.78 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.1 ttm -64.15 126.41 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.5 32.83 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m -149.74 174.16 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -166.88 146.93 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.7 p -74.32 131.83 41.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.9 p -82.96 116.88 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.3 m -70.2 131.84 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -78.48 124.81 28.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -66.47 107.97 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.2 tp -80.96 137.57 36.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.55 167.01 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -103.46 141.26 36.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -78.46 -175.31 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.08 175.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.34 170.69 12.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -123.82 163.96 20.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -141.88 176.26 9.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -128.76 -56.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.3 70.79 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.07 37.03 2.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -80.85 149.64 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -97.14 -61.73 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.12 128.76 38.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.25 163.55 6.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -120.58 175.3 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -74.03 164.53 26.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -130.72 166.74 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.13 175.72 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.91 139.29 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.159 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.3 t -61.65 115.81 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.19 -43.34 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.589 ' HA ' HD13 ' A' ' 127' ' ' LEU . 7.8 ptpt -171.86 174.96 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.8 137.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -89.47 -47.92 7.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -166.96 163.88 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -117.46 152.34 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -159.79 146.74 16.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.4 ttm -74.72 142.59 44.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.99 142.78 39.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -31.59 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -75.42 -17.49 60.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.69 23.45 73.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.09 -29.55 50.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -170.27 -126.38 0.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -141.96 144.46 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -116.17 150.77 36.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -136.78 143.42 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 113' ' ' ASN . 17.7 mt -81.63 141.72 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 116' ' ' SER . 14.9 mt -100.02 108.33 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.742 ' HG3' HD23 ' A' ' 87' ' ' LEU . 9.0 ttmt -79.89 126.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.23 143.58 33.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.21 119.07 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.43 -33.26 5.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -103.87 124.69 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -112.78 97.47 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 158.13 51.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -164.55 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.512 ' O ' HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -65.19 -11.72 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.39 16.42 5.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.808 ' HB3' HD22 ' A' ' 101' ' ' LEU . 2.1 t-20 -60.43 -163.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.77 115.51 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -81.78 118.93 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.714 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -112.06 142.75 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 58.5 m -85.13 175.43 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.98 -25.93 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.53 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.9 -30.41 40.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.5 m -54.74 -26.92 37.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -52.19 -29.77 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.66 -35.59 7.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.4 ' HB3' HD12 ' A' ' 127' ' ' LEU . 78.7 m -97.15 33.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -48.15 54.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.18 -35.0 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.3 mt -74.06 -45.68 47.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.65 -44.51 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.04 -40.13 54.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.59 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.78 -39.11 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -70.91 -33.2 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.77 -35.42 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -29.12 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -76.23 -30.41 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.42 22.95 13.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -74.24 131.53 13.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.99 159.65 70.42 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 170.87 15.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 51.86 74.56 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.735 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 133.97 26.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.274 . . . . 0.0 112.369 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.854 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.6 p -151.45 -179.68 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.791 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -114.07 85.89 2.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 40.8 mtm -98.35 111.74 23.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -114.27 -29.55 6.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 t -79.02 102.88 8.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -99.46 144.31 28.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 p -112.13 52.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -85.12 97.81 10.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -92.03 -70.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -168.53 157.35 8.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -121.11 73.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.0 mt -151.83 150.08 29.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -65.63 138.98 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -127.55 76.27 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -104.74 102.81 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.73 133.58 46.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -84.84 82.65 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -112.26 52.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -128.48 114.94 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -141.42 135.45 30.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 179.02 -178.51 48.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.32 -107.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -154.98 171.67 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -130.25 102.51 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -160.63 159.01 29.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -100.87 -74.27 0.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -175.87 163.23 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -165.36 138.91 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -121.98 172.3 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -142.45 109.27 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.68 149.81 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.6 t -60.39 115.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.76 -54.95 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' A' ' 127' ' ' LEU . 13.4 ptmt -159.87 174.83 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.27 136.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD23 ' HE2' ' A' ' 103' ' ' LYS . 0.6 OUTLIER -88.27 -57.23 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -142.18 165.4 27.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -121.53 162.33 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 -154.61 153.46 31.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.9 ttm -96.99 134.7 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.13 119.16 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -83.29 -32.44 26.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -71.12 -17.51 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.63 60.44 1.71 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.07 -64.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -145.25 -112.64 0.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -151.43 161.14 43.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -117.61 148.27 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -149.84 130.74 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 113' ' ' ASN . 3.0 tp -81.89 136.65 35.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.526 HD22 ' CG1' ' A' ' 83' ' ' VAL . 63.9 mt -100.46 142.88 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.447 ' HE2' HD23 ' A' ' 87' ' ' LEU . 5.7 ttmm -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -89.74 142.68 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.81 119.05 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 -31.81 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -102.61 128.56 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.12 98.11 7.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.23 158.86 51.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -6.22 43.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.35 15.21 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.645 ' HB2' HD21 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -53.77 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.9 t -80.59 129.77 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -88.34 154.23 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 t -139.74 135.48 33.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 t -89.07 169.6 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.3 -29.89 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.74 53.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.7 -28.3 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.3 m -55.8 -26.07 44.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.8 p -56.08 -26.88 51.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.23 -34.69 11.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.0 m -103.12 34.01 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -50.34 -42.41 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -52.86 -42.43 65.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.561 ' CD1' HG12 ' A' ' 83' ' ' VAL . 17.8 mt -72.47 -44.5 62.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.1 mm -51.72 -48.34 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -75.92 -39.86 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.31 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.01 -44.83 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -69.24 -36.26 77.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.08 -47.34 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.25 -25.98 66.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -81.74 -38.86 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.807 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.6 27.8 5.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -96.91 143.26 16.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.67 160.13 50.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 92.21 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.351 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 51.84 74.71 0.74 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 140.66 43.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.289 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 m -115.35 144.55 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -173.79 122.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.56 102.93 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.52 28.12 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -86.86 75.3 9.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -165.84 157.0 13.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -172.09 140.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -119.12 47.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.5 t -123.74 163.81 20.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.69 23.95 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -67.92 156.3 37.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.8 mt -144.42 125.31 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 -174.44 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -133.65 30.68 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -127.22 64.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.12 107.76 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 37.06 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -74.59 -67.13 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -85.14 170.08 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -116.19 -57.73 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.72 43.42 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 176.86 72.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -94.15 125.08 38.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -121.52 -67.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -124.77 132.41 53.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -105.56 -67.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -112.76 163.54 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.38 158.93 32.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -78.87 161.96 26.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -131.63 108.1 9.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.86 150.24 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.607 HG11 HD22 ' A' ' 102' ' ' LEU . 21.0 t -63.0 116.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -93.47 -49.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -154.75 141.17 18.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.9 t -69.1 123.91 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.762 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -71.21 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -156.38 175.85 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -127.14 162.38 26.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -148.86 161.76 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.9 ttt -99.61 146.19 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.55 153.86 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -83.99 -30.02 26.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -78.93 -17.45 55.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.09 52.71 3.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.23 63.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.25 158.1 8.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -115.77 154.85 28.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -126.91 146.95 50.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -146.05 129.86 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.658 HD23 ' CB ' ' A' ' 87' ' ' LEU . 4.4 tp -81.73 133.71 35.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.607 HD22 HG11 ' A' ' 83' ' ' VAL . 76.7 mt -96.26 140.1 31.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.762 ' HG3' HD23 ' A' ' 87' ' ' LEU . 2.8 tttt -110.66 128.37 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -73.2 135.3 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.98 119.64 11.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.16 -32.38 5.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -103.13 124.86 49.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.95 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.6 97.78 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.47 158.59 51.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.577 0.703 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -12.0 58.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.21 15.49 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.525 ' HB3' HD21 ' A' ' 101' ' ' LEU . 8.1 t-20 -57.53 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.42 136.81 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -103.62 154.36 19.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.34 144.91 49.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p -90.4 -178.78 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -59.84 -25.98 65.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.11 -36.91 61.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.44 -22.31 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 28.6 t -52.95 -28.79 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.3 t -80.12 -31.63 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -80.2 -41.82 11.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 127' ' ' LEU . 30.4 p -112.48 34.9 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -50.42 -40.69 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -53.78 -43.27 69.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' A' ' 124' ' ' CYS . 34.1 mt -72.55 -43.74 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 41.9 mm -51.73 -50.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.0 -41.23 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.69 -38.48 55.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -65.01 -53.6 43.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -58.74 -37.38 76.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -63.62 -28.6 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -68.32 -29.94 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -80.24 -28.36 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 102.42 40.09 2.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.97 145.41 25.8 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -93.64 159.06 35.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.713 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 135.79 31.43 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -51.67 156.79 2.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 162.69 41.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.3 p -148.45 150.02 32.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -79.1 171.39 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -26.23 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 57.76 48.65 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -106.25 -46.66 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.83 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -113.52 93.36 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.8 t -125.22 -50.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.7 m -95.45 -74.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 m 57.5 29.14 16.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -111.28 110.97 21.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -163.71 119.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -119.46 122.97 42.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -121.83 178.57 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -172.88 129.31 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -140.28 151.29 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -157.82 132.79 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -141.37 150.35 42.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -164.59 132.13 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -129.2 153.42 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -169.36 127.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.0 144.18 6.93 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.35 111.88 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.55 92.33 4.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -112.68 132.13 55.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -97.4 156.39 16.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -77.02 146.79 37.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -101.93 163.73 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -162.16 113.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -125.99 144.93 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -70.85 113.03 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.7 t -136.23 148.99 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.619 HG22 HD13 ' A' ' 102' ' ' LEU . 20.6 t -61.51 116.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -96.34 -55.06 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -146.07 174.87 10.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.3 t -101.97 121.55 53.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.591 ' CB ' HD23 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -71.77 -61.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -154.61 174.03 15.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -123.5 161.41 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -147.15 144.89 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 35.7 mtp -80.0 144.77 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.33 133.19 41.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -82.37 -27.55 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -85.67 -17.42 36.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.88 23.87 40.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.424 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.96 -43.95 9.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.92 -128.51 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -127.71 162.62 26.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -127.43 147.97 50.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -148.16 133.03 18.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.591 HD23 ' CB ' ' A' ' 87' ' ' LEU . 2.8 tp -81.69 129.3 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.619 HD13 HG22 ' A' ' 83' ' ' VAL . 46.7 mt -87.16 143.4 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.555 ' HE2' HD23 ' A' ' 87' ' ' LEU . 6.1 ttmm -114.65 124.98 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -74.39 139.84 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 118.92 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.8 -32.23 5.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.86 124.9 49.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.986 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -108.64 97.55 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.64 159.06 50.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -166.16 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.34 -11.56 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.9 15.26 10.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.519 ' CB ' HD21 ' A' ' 101' ' ' LEU . 6.7 t-20 -59.3 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.59 130.02 34.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -100.23 134.11 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.4 ' HB2' HD11 ' A' ' 102' ' ' LEU . 2.7 t -121.35 144.4 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -68.37 177.57 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.02 -27.21 60.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.7 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -68.1 -19.84 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.2 p -53.61 -25.34 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.0 t -68.21 -32.41 72.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.17 -41.84 4.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 29.1 p -101.92 33.42 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -42.95 53.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.56 -41.05 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.565 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.3 mt -72.74 -45.58 57.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.4 mm -51.86 -47.37 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.95 -39.84 55.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.27 -54.33 47.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -61.38 -37.6 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -56.62 -27.71 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.42 -28.03 63.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -78.16 -25.93 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.41 39.99 1.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.5 174.61 17.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.49 160.43 82.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.88 17.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -128.52 157.51 74.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 137.4 35.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.858 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -140.92 137.09 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.374 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -76.44 164.81 25.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -109.26 135.74 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -116.25 40.51 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m -131.0 133.99 46.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -136.03 123.88 22.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.6 p -66.63 101.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.1 m -107.84 161.4 14.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -145.21 155.52 43.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -142.14 128.16 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 160.74 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mp -114.67 79.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.47 109.6 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -93.96 72.03 4.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -91.95 101.65 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.9 131.25 19.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -97.52 95.97 8.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.81 166.27 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -146.84 123.11 10.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -146.2 112.46 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.65 153.75 21.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.87 35.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.551 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -98.3 146.75 25.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -84.61 155.95 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -142.13 160.57 39.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -124.63 29.21 6.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -100.68 -64.11 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.1 t70 53.46 47.74 23.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -146.25 164.47 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.452 ' HE1' ' HH ' ' A' ' 107' ' ' TYR . 15.3 m-85 -119.98 171.85 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.12 150.16 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.57 115.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.536 ' HA ' HD22 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -170.16 174.29 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 127' ' ' LEU . 94.2 t -79.43 124.47 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.614 ' CB ' HD23 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -70.9 -57.99 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -160.62 169.09 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -118.18 162.68 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -152.65 167.99 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 ptm -116.75 120.54 38.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.33 117.02 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -66.14 -25.97 67.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -69.95 -17.43 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.39 19.07 31.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -77.88 -19.4 75.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.62 -106.46 0.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.523 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -149.17 171.07 17.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.872 0.367 . . . . 0.0 110.932 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.44 168.68 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -144.14 128.22 17.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.834 HD21 ' HB2' ' A' ' 113' ' ' ASN . 5.6 tp -81.88 134.02 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.44 141.71 28.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.528 ' HG3' HD23 ' A' ' 87' ' ' LEU . 64.0 tttt -116.42 140.55 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -93.33 138.78 31.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -72.3 121.43 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.33 -32.23 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.452 ' HH ' ' HE1' ' A' ' 81' ' ' TYR . 48.3 m-85 -102.93 124.71 48.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -107.94 97.41 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.82 159.08 49.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -67.41 -9.64 43.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -86.94 15.76 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.834 ' HB2' HD21 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -52.73 175.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -79.77 127.98 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -94.81 151.34 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 p -130.65 142.18 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.3 m -86.69 179.08 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.8 -30.02 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.83 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.74 -24.48 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 30.4 t -51.94 -32.03 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -80.82 -32.58 35.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -75.08 -39.72 36.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.417 ' HB3' HD12 ' A' ' 127' ' ' LEU . 75.6 m -104.45 36.37 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -44.32 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -51.92 -41.55 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.674 ' HB3' HG23 ' A' ' 86' ' ' VAL . 15.8 mt -72.53 -44.4 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.3 mm -52.14 -47.94 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.85 -39.95 55.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -56.3 -56.79 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -69.22 -27.51 65.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.18 -31.13 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.81 -29.48 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -88.06 -32.41 18.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.26 41.4 2.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.45 156.69 32.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -71.98 160.45 82.64 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 179.91 3.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -111.18 160.27 29.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 173.7 10.61 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.5 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.832 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.0 p -139.79 120.41 14.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -162.31 123.02 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.0 tpp -82.48 139.81 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -134.14 52.48 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.1 t -93.41 154.74 17.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -81.58 138.67 35.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.0 m -61.84 -37.61 85.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 p -124.61 156.57 37.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -87.3 151.2 23.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -94.77 94.62 8.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 101.97 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.0 tp -90.03 140.62 29.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -92.41 103.65 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.28 157.37 22.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -145.03 156.32 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.05 148.6 26.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -95.34 160.51 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -115.57 178.45 4.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -140.11 132.49 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.89 -48.16 39.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.55 -160.23 53.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.41 103.79 0.17 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -90.78 150.44 21.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -123.24 134.21 54.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -128.89 133.63 47.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -76.28 155.95 33.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.29 169.84 9.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -111.63 150.92 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -129.87 155.08 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -117.52 118.04 31.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p -132.46 148.65 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.699 HG11 HD22 ' A' ' 102' ' ' LEU . 25.4 t -61.79 115.54 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.13 -33.6 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.497 ' HA ' HD13 ' A' ' 127' ' ' LEU . 16.2 ptmt -174.35 175.48 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.4 t -93.1 143.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD23 ' NZ ' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -90.53 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -144.91 175.35 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -124.47 139.2 54.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -138.65 154.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.6 mtp -89.85 151.09 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.77 148.31 50.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -75.89 -26.04 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -70.16 -17.52 63.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.09 30.81 16.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.03 84.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.435 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 148.03 156.01 6.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -118.14 137.0 53.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -124.13 133.49 53.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -120.04 147.07 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.589 HD12 ' CD1' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -81.77 130.69 35.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.699 HD22 HG11 ' A' ' 83' ' ' VAL . 58.4 mt -93.24 126.09 38.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.467 ' NZ ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.63 135.76 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -83.11 130.02 35.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.13 118.99 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 -32.73 5.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -103.26 124.67 49.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -97.72 96.67 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.28 158.95 48.58 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.633 0.73 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -8.88 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.64 16.85 11.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB2' HD21 ' A' ' 101' ' ' LEU . 5.6 t-20 -59.22 -169.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.8 t -79.73 139.82 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TRP . . . . . 0.589 ' CD1' HD12 ' A' ' 101' ' ' LEU . 20.5 m0 -99.84 148.36 24.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.6 p -129.3 128.76 43.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.801 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 t -85.3 176.72 8.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.31 -29.97 59.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.85 99.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.47 -27.06 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -53.42 -29.01 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.1 t -56.88 -24.9 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.71 -41.15 7.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 127' ' ' LEU . 28.3 p -107.3 37.36 2.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -50.38 -46.06 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.1 -39.55 59.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 85' ' ' LYS . 35.4 mt -72.42 -46.01 57.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.9 mm -52.51 -47.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.45 -39.37 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.48 83.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -56.16 -45.56 79.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.2 -42.8 88.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -58.13 -46.24 85.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.59 -29.3 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -80.24 -27.26 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.5 25.7 6.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.8 160.7 54.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -77.32 159.43 77.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.52 2.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.7 156.79 2.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.66 56.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 p -100.7 111.95 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -133.13 155.19 49.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -79.33 -179.79 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -132.77 47.23 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 m -141.49 175.28 9.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.34 154.81 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 t -85.24 154.05 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -101.52 127.12 48.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -131.27 156.14 45.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.45 115.36 29.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -142.71 130.68 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.72 92.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.25 -36.25 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 58.36 41.06 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -88.94 -177.31 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -176.7 145.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -96.18 100.97 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -54.73 138.83 41.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.84 135.47 7.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -75.5 -57.5 3.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.9 106.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 129.56 91.51 0.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.59 -177.43 6.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -144.45 136.37 26.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -161.76 152.55 17.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -143.03 167.61 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -122.86 142.93 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.27 165.68 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -143.59 142.84 31.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -85.73 148.95 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.23 147.39 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.484 ' CG1' HD22 ' A' ' 102' ' ' LEU . 21.9 t -67.26 115.38 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -82.29 -54.98 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.73 ' HA ' HD22 ' A' ' 127' ' ' LEU . 7.4 ptmt -172.41 174.87 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.669 HG23 ' HB3' ' A' ' 127' ' ' LEU . 97.2 t -73.89 121.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.525 HD12 ' CD2' ' A' ' 101' ' ' LEU . 3.2 tm? -77.31 -59.4 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.497 ' HB3' HD13 ' A' ' 87' ' ' LEU . 18.3 ptmt -141.93 175.78 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -136.38 138.99 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -147.31 154.57 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpp -86.52 145.38 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.58 127.94 33.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -78.6 -26.46 45.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.07 -17.38 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.73 20.53 14.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.96 -119.19 2.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.29 -136.95 8.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.478 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -109.26 167.3 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -145.01 134.63 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.461 ' HB3' HG13 ' A' ' 86' ' ' VAL . 8.1 m-85 -120.36 138.83 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 113' ' ' ASN . 5.3 tp -82.42 135.68 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.493 ' HB2' HG23 ' A' ' 114' ' ' THR . 21.5 mt -87.15 143.37 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -114.45 147.08 39.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -94.53 132.01 39.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -66.8 118.86 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.39 -32.32 5.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -103.01 124.85 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -100.26 97.73 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.45 158.48 51.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -169.21 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.374 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -7.55 52.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.86 15.16 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' HB3' HD21 ' A' ' 101' ' ' LEU . 6.7 t-20 -58.48 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.493 HG23 ' HB2' ' A' ' 102' ' ' LEU . 14.6 t -80.64 134.03 35.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -97.46 152.5 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -132.27 128.11 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -60.74 -178.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -73.73 -31.79 63.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.58 -23.53 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -68.4 -19.9 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.85 -25.14 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.7 t -68.69 -32.17 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -102.1 -17.99 18.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.582 ' HB3' HD12 ' A' ' 127' ' ' LEU . 94.0 m -117.31 28.96 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.932 0.396 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -50.14 -51.86 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -51.63 -33.29 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.73 HD22 ' HA ' ' A' ' 85' ' ' LYS . 24.4 mt -73.88 -46.99 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.8 mm -56.06 -43.21 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.86 -40.38 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.92 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.86 -49.58 74.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -61.39 -33.44 73.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.76 -38.72 82.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.24 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -82.19 -28.15 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.94 29.44 6.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.4 149.69 30.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 62.2 mmt-85 -93.28 159.2 35.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 178.5 4.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -139.29 73.7 36.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 117.64 5.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.837 0.351 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 127' ' ' LEU . 18.2 t -69.57 114.32 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -82.46 -52.93 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -166.41 174.96 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 127' ' ' LEU . 94.3 t -77.44 141.23 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 -49.24 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -154.83 164.22 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -117.55 138.89 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -145.81 137.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.9 mtp -84.65 150.95 24.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.935 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -107.1 152.52 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -127.48 146.53 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -145.83 136.75 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.622 HD11 ' CH2' ' A' ' 115' ' ' TRP . 1.1 mt -81.74 142.45 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.59 125.22 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -98.36 119.67 37.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -74.6 133.3 42.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.12 122.98 16.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.62 -33.03 5.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -103.55 124.69 49.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -110.34 96.52 6.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.65 159.2 47.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.02 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -68.24 -9.34 46.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.78 16.05 7.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.526 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.6 t-20 -59.64 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.488 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -84.67 120.96 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.622 ' CH2' HD11 ' A' ' 101' ' ' LEU . 35.1 m95 -90.13 119.09 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 140.82 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.0 p -75.93 169.48 18.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -55.17 -27.15 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.05 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.5 -20.74 64.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.4 -32.73 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -70.42 -22.63 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -96.02 -41.83 3.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.45 ' HB3' HD12 ' A' ' 127' ' ' LEU . 59.7 m -113.22 39.3 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -50.21 -47.96 54.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.97 -37.06 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 85' ' ' LYS . 25.3 mt -73.03 -49.1 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.9 mm -51.69 -45.27 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.88 -39.53 56.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.96 -47.0 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -55.47 -36.39 66.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -75.54 -39.45 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -61.09 -41.61 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -27.12 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -76.07 -33.42 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.868 0.366 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.1 t -62.28 115.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.09 -52.23 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.596 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -170.66 175.15 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 127' ' ' LEU . 98.4 t -70.71 143.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -98.26 -36.96 9.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -168.15 162.9 13.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -117.65 138.89 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -140.49 144.06 35.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 ttm -89.5 109.61 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -130.77 157.76 41.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -130.8 144.42 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -146.21 134.11 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.598 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.1 mt -81.78 142.35 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.939 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.23 127.83 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.44 ' HB2' HD23 ' A' ' 87' ' ' LEU . 31.7 tttm -98.86 145.54 26.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -98.29 134.53 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.72 121.59 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.65 -32.73 5.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -103.43 124.69 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.919 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -106.77 96.78 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.18 158.9 48.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -4.93 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -89.24 15.95 8.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.556 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -58.34 -171.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.463 ' C ' HD23 ' A' ' 101' ' ' LEU . 8.0 t -85.57 126.63 34.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.598 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 41.5 m95 -93.51 117.04 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.5 p -99.53 142.73 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -79.2 -178.76 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.53 -25.73 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.96 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.34 -27.11 52.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 63.4 m -59.83 -24.07 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -52.06 -30.99 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.25 -29.86 3.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.81 24.95 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.96 -51.46 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.4 -35.1 37.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' ' 85' ' ' LYS . 21.4 mt -72.27 -47.89 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.29 -46.24 68.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.15 -39.92 65.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.16 -51.28 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -54.08 -48.62 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -64.8 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.29 -27.15 64.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.38 -29.73 70.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -99.13 25.97 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.879 0.371 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 127' ' ' LEU . 20.7 t -61.81 116.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -83.1 -53.11 6.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.586 ' HA ' HD13 ' A' ' 127' ' ' LEU . 3.1 pttm -169.18 175.07 5.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.555 HG23 ' HB3' ' A' ' 127' ' ' LEU . 43.8 t -73.65 144.17 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -97.66 -38.45 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -172.96 152.9 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -117.56 138.71 51.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.79 156.58 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.5 ptm -97.19 154.13 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.051 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.54 151.32 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -138.68 134.94 34.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -118.29 132.96 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.466 HD22 ' CB ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -81.77 142.47 32.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 116' ' ' SER . 8.9 mt -99.06 131.48 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 123.68 47.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -74.2 136.61 42.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -65.3 123.76 20.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.19 5.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.922 0.392 . . . . 0.0 110.928 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.98 96.26 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.57 158.71 48.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -165.35 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -6.07 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -90.62 15.99 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.466 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -59.55 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.424 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.2 t -82.05 128.9 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.43 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 36.4 m95 -95.66 116.97 29.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.422 ' HB3' HD11 ' A' ' 102' ' ' LEU . 12.6 p -102.62 130.55 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.2 m -54.97 174.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.801 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.74 -32.47 72.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.94 -23.34 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.44 -19.78 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 7.5 p -55.8 -23.7 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.7 t -69.34 -22.06 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -105.12 -19.76 10.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.542 ' HB2' HD12 ' A' ' 127' ' ' LEU . 23.5 p -126.47 34.49 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -49.89 -52.41 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -51.45 -33.34 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 85' ' ' LYS . 24.9 mt -73.68 -46.7 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.37 -43.05 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.86 -39.84 55.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -58.95 -39.93 83.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -70.78 -30.98 67.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -64.74 -29.07 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.41 -27.69 68.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -84.76 -30.15 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.889 0.376 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.662 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.1 t -71.36 114.85 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -112.53 -19.29 12.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.02 175.83 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.5 t -109.8 138.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -53.63 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -161.92 171.99 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -124.93 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -134.27 147.27 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.7 mtt -89.7 130.3 35.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -138.46 136.83 36.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -118.78 142.66 47.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -139.23 140.85 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.678 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.3 mt -81.77 137.45 35.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.512 HD22 HG21 ' A' ' 83' ' ' VAL . 11.6 mt -88.39 128.03 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 130.38 44.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -85.6 131.97 34.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.55 121.27 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.02 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -103.55 124.71 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.08 96.79 6.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.07 158.5 49.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.08 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.1 m -71.84 -6.2 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -89.87 15.91 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.56 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t-20 -59.27 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.412 ' O ' HD23 ' A' ' 101' ' ' LEU . 6.9 t -87.02 129.8 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.678 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 61.1 m95 -95.48 117.85 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -104.15 147.25 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.9 t -86.04 -178.75 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -68.03 -17.87 64.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.29 -36.24 81.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -80.48 -26.39 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 t -52.69 -28.5 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -106.49 -22.82 7.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 31.5 m -103.4 25.11 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -50.64 -49.43 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -51.32 -36.04 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.662 ' CD1' HG12 ' A' ' 83' ' ' VAL . 24.0 mt -72.97 -49.9 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.9 mm -51.78 -44.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -75.98 -39.19 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.14 86.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.61 -37.08 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.65 -39.65 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -55.9 -36.92 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.04 -26.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -74.97 -27.35 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.519 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.884 0.373 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.439 HG12 ' CD1' ' A' ' 127' ' ' LEU . 13.2 t -68.72 115.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -82.01 -54.9 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.661 ' HA ' HD13 ' A' ' 127' ' ' LEU . 11.3 ptmt -167.7 174.73 7.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 127' ' ' LEU . 81.4 t -75.91 138.58 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.444 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -94.14 -37.4 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -166.76 162.07 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -117.53 138.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -146.25 164.59 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 tpp -102.02 120.7 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -102.3 169.73 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.3 134.93 18.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -130.65 140.23 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.589 HD11 ' CH2' ' A' ' 115' ' ' TRP . 1.1 mt -81.85 141.81 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.51 127.83 41.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' HG3' HD23 ' A' ' 87' ' ' LEU . 34.6 tttp -100.91 117.98 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -73.53 133.59 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.98 124.62 21.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.08 -33.27 4.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -103.87 124.68 49.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.71 96.03 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.93 159.15 46.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.64 0.734 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.2 m -68.77 -8.77 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.0 16.1 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.532 ' HB3' HD22 ' A' ' 101' ' ' LEU . 1.6 t-20 -59.64 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.46 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -83.97 123.09 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.589 ' CH2' HD11 ' A' ' 101' ' ' LEU . 33.3 m95 -92.92 118.58 31.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.52 137.28 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.9 p -59.24 178.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.86 -23.46 31.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.28 -19.84 63.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 p -55.33 -24.28 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -72.62 -27.97 62.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.3 -41.86 4.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.87 38.26 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -40.51 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.11 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.661 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.3 mt -75.22 -44.75 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.0 mm -57.79 -43.42 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.98 -40.67 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.64 -47.86 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.74 -44.18 85.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -68.1 -35.14 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.55 -31.22 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.45 -32.81 74.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.76 -28.59 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.856 0.36 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.7 p -54.79 116.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -94.32 -48.56 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -157.74 174.18 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.443 HG21 HD13 ' A' ' 128' ' ' ILE . 90.7 t -74.64 138.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.622 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -84.23 -50.28 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -156.76 164.53 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -117.6 140.59 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -149.94 140.67 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ptm -103.3 136.15 43.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -138.94 155.99 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -139.45 153.22 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -145.63 135.94 23.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.579 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.2 mt -81.91 142.47 32.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 116' ' ' SER . 8.5 mt -97.03 112.86 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.622 ' HG3' HD23 ' A' ' 87' ' ' LEU . 28.7 tttt -86.11 127.23 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -78.91 132.59 36.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -61.57 123.6 18.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.14 5.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -103.65 124.7 49.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.48 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.69 158.71 47.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.26 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.643 2.228 . . . . 0.0 112.298 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.59 -6.23 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.7 16.09 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.544 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -59.5 -168.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.9 t -83.63 124.98 31.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.579 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 76.2 m95 -91.4 116.21 28.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.549 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -101.07 147.06 26.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 m -74.51 163.04 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -60.96 -24.23 65.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.05 51.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -19.91 63.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -55.05 -35.02 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -17.1 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.33 -41.9 1.33 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.4 m -108.87 37.19 2.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -50.3 -47.44 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.23 -37.0 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 85' ' ' LYS . 16.5 mt -73.06 -48.97 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.443 HD13 HG21 ' A' ' 86' ' ' VAL . 40.6 mm -53.21 -45.81 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.37 -39.53 62.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.05 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.15 -34.9 77.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -72.35 -35.7 68.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.2 -25.84 67.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.85 -25.99 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -85.07 -26.27 27.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.872 0.368 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.3 t -61.31 116.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -79.07 -51.05 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.573 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -167.86 175.26 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 127' ' ' LEU . 90.2 t -75.76 144.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.144 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.541 HD23 ' CG ' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -97.37 -41.36 8.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -163.19 160.16 23.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -117.48 138.89 51.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 47.9 mmt-85 -150.61 148.55 28.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 ptp -103.42 142.75 33.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.133 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.52 163.73 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.81 143.43 32.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.467 ' CG ' HD12 ' A' ' 128' ' ' ILE . 6.6 m-85 -138.51 138.25 37.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 114' ' ' THR . 0.5 OUTLIER -81.68 142.46 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.72 140.49 31.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.541 ' CG ' HD23 ' A' ' 87' ' ' LEU . 7.2 tmtt? -113.39 147.36 37.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.73 128.49 46.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -63.07 123.85 19.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.69 -32.66 5.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -103.39 124.84 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.926 0.393 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.65 96.62 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 159.09 48.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -165.28 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.4 m -75.0 -3.58 33.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -89.75 16.0 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.547 ' CB ' HD22 ' A' ' 101' ' ' LEU . 4.5 m-20 -55.96 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.74 ' O ' HD23 ' A' ' 101' ' ' LEU . 11.1 t -83.81 131.82 34.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.723 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 36.4 m95 -97.55 121.01 38.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -101.0 132.01 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.6 p -67.58 -179.01 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -60.86 -28.59 68.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.3 53.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.38 -21.81 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.59 -39.61 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.8 t -68.67 -27.85 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.96 -41.91 8.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.469 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.0 p -114.71 41.31 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -49.91 -49.24 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -51.72 -36.98 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.575 ' HB3' HG23 ' A' ' 86' ' ' VAL . 29.3 mt -72.26 -47.82 47.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 100' ' ' TYR . 46.2 mm -52.98 -46.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.97 -40.19 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.91 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -54.46 -36.75 64.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -74.54 -35.83 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -62.41 -29.87 70.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.49 65.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -107.62 24.9 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.44 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.817 0.342 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.673 HG12 ' CD1' ' A' ' 127' ' ' LEU . 9.5 t -68.06 114.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -111.73 -19.28 12.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.493 ' N ' HD13 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -155.95 175.45 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 127' ' ' LEU . 98.6 t -105.96 122.15 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.703 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -70.81 -31.03 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.82 179.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -137.58 138.8 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -143.28 171.15 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 ttp -110.63 141.85 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -133.15 159.66 39.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.91 133.35 26.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.56 178.69 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -117.13 132.14 56.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.616 HD11 ' OG ' ' A' ' 116' ' ' SER . 42.5 mt -85.69 144.0 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.453 ' HD2' HD22 ' A' ' 87' ' ' LEU . 36.6 tttt -123.76 130.1 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -86.97 141.18 28.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.5 126.25 32.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.75 -33.44 4.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.67 124.7 49.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -100.25 95.36 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.12 159.52 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.69 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.43 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -90.87 15.25 11.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.466 ' CB ' HD21 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -56.65 -177.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.601 ' CG2' HD12 ' A' ' 102' ' ' LEU . 5.5 t -85.4 137.88 32.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -104.71 127.59 52.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.616 ' OG ' HD11 ' A' ' 102' ' ' LEU . 1.5 m -102.55 146.88 27.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.4 m -83.15 -178.7 7.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -64.02 -42.46 97.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.39 -23.54 49.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -20.58 54.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.7 m -62.14 -17.45 57.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.3 t -63.39 -16.27 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.41 -41.81 1.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.59 28.32 5.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -49.58 -47.81 49.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -51.65 -40.45 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.673 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.8 mt -69.94 -45.97 66.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.8 mm -52.76 -48.04 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -72.42 -38.44 68.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -55.71 -38.47 69.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -69.86 -39.83 76.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -65.98 -28.35 68.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.17 -26.11 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -89.11 -27.52 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.496 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.852 0.358 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.6 t -66.39 116.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -102.41 -26.17 13.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.454 ' CA ' HD13 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -166.76 176.01 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.38 140.01 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.3 -52.08 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -161.43 167.33 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -119.63 139.1 52.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -138.35 142.7 39.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 39.3 ttm -97.64 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -137.66 147.55 45.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -142.03 142.31 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.56 141.8 46.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -83.99 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 116' ' ' SER . 18.7 mt -89.95 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -108.56 118.29 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -74.02 132.18 42.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.85 124.92 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 -33.41 4.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.96 124.52 49.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.93 95.77 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.17 159.06 45.77 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -9.77 44.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.87 16.55 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.497 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.5 t-20 -59.01 -168.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.68 127.59 33.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.593 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 37.2 m95 -97.49 117.21 31.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.482 ' HB2' HD11 ' A' ' 102' ' ' LEU . 23.3 t -109.22 140.13 43.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.7 m -57.36 178.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -73.28 -26.89 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.18 -23.42 35.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.61 -19.7 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 8.0 p -54.8 -24.24 21.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.1 t -74.7 -29.94 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.01 -37.76 9.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.4 p -118.78 42.59 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -49.48 -50.11 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.63 -37.61 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.639 ' CD1' HG12 ' A' ' 83' ' ' VAL . 24.6 mt -72.24 -46.16 57.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.0 mm -53.83 -46.26 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.65 -39.51 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.69 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -57.73 -33.62 68.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -76.86 -38.06 54.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.24 -44.61 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.15 -26.17 66.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -73.1 -26.21 61.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.858 0.361 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.552 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.4 t -68.9 115.44 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -96.67 -52.74 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.62 175.53 10.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.609 HG23 ' HB3' ' A' ' 127' ' ' LEU . 99.1 t -93.35 140.24 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -49.84 6.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -155.64 165.28 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -117.57 147.03 43.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -145.29 169.83 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.1 ttt -117.49 149.77 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -140.84 145.45 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -107.74 151.98 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -145.55 135.43 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.634 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.3 mt -81.59 141.05 34.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.629 HD11 ' OG ' ' A' ' 116' ' ' SER . 14.5 mt -93.78 133.25 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -104.51 118.91 37.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -73.33 131.42 41.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.95 123.08 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.13 -33.03 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -107.21 96.56 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.25 158.33 49.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -70.72 -7.14 42.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.33 16.08 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.551 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t-20 -58.74 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.429 ' C ' HD23 ' A' ' 101' ' ' LEU . 9.7 t -85.66 127.04 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.634 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 48.1 m95 -93.69 113.82 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.629 ' OG ' HD11 ' A' ' 102' ' ' LEU . 0.5 OUTLIER -99.74 143.64 29.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.814 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.7 t -83.16 -178.63 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.74 -25.08 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.27 -32.82 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -26.31 37.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.59 -38.84 56.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -56.7 -35.32 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.52 16.12 31.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 60.9 m -143.0 19.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -50.15 -53.16 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -50.6 -33.12 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.609 ' HB3' HG23 ' A' ' 86' ' ' VAL . 11.2 mt -74.05 -48.81 27.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.47 HD13 HG21 ' A' ' 86' ' ' VAL . 41.9 mm -53.89 -43.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.96 -40.52 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -52.61 -48.76 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -66.1 -37.02 84.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -57.94 -28.07 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -71.98 -26.68 62.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -26.66 34.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.6 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.882 0.372 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 127' ' ' LEU . 15.2 t -69.46 115.23 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -88.95 -54.97 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -156.72 176.05 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 127' ' ' LEU . 18.0 t -85.23 129.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.618 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -80.95 -31.43 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -177.18 164.3 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -117.47 139.28 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -155.14 152.95 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.2 ptm -99.21 157.71 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -145.15 162.17 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -144.8 179.3 7.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.484 ' CD1' HD12 ' A' ' 128' ' ' ILE . 91.2 m-85 -147.37 170.56 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -110.13 136.49 49.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.631 HD12 HG23 ' A' ' 114' ' ' THR . 9.9 mt -97.91 143.89 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.584 ' HG3' HD23 ' A' ' 87' ' ' LEU . 28.4 tttt -123.81 124.44 42.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -73.64 140.31 46.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -75.38 128.89 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.58 -34.0 4.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -104.35 124.69 49.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.98 94.48 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.81 159.26 43.59 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.604 0.716 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -166.08 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 -1.24 39.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -96.51 16.0 19.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -168.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.631 HG23 HD12 ' A' ' 102' ' ' LEU . 14.1 t -80.21 134.86 36.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -102.54 140.39 36.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.53 ' HB2' HD11 ' A' ' 102' ' ' LEU . 6.0 t -118.69 147.08 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.9 m -73.44 -178.71 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -68.84 -25.64 64.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.0 -26.19 59.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.49 -20.37 43.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.68 -36.13 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -68.24 -26.95 65.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -88.91 -41.85 5.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.496 ' HB3' HD12 ' A' ' 127' ' ' LEU . 24.0 m -106.69 33.13 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -50.03 -50.02 48.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -51.27 -36.24 41.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.548 ' HB3' HG23 ' A' ' 86' ' ' VAL . 26.1 mt -73.03 -47.8 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' A' ' 100' ' ' TYR . 46.8 mm -53.08 -44.87 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.92 -39.22 56.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.85 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.069 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -76.79 -36.61 56.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.12 -31.69 61.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.45 -30.87 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -76.23 -27.33 56.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.801 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 127' ' ' LEU . 27.8 t -54.9 117.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -96.17 -34.73 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.75 ' HA ' HD13 ' A' ' 127' ' ' LEU . 22.2 ptmt -171.51 175.96 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.8 t -91.3 144.17 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 88' ' ' LYS . 3.3 tm? -98.34 -39.67 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.503 ' HB2' HD13 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -168.65 158.06 8.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -117.54 139.0 51.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -143.07 142.34 31.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.73 110.75 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -142.22 151.73 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.924 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -138.06 137.09 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.52 ' CG ' HD12 ' A' ' 128' ' ' ILE . 8.7 m-85 -131.45 137.51 48.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -82.9 136.71 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.78 142.57 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -111.31 145.91 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -101.12 120.48 40.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -51.64 125.74 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.47 -33.81 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -104.39 124.45 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.926 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.56 95.99 6.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 157.92 48.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.84 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 m -69.88 -7.27 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -88.67 16.48 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.514 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -57.07 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.453 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.5 t -80.55 125.43 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -92.93 114.16 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.8 p -99.61 146.53 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.1 p -89.34 -178.74 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.93 -30.18 23.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.76 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -25.63 38.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 47.3 t -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -71.07 -27.02 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -78.5 -41.7 15.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 19.9 m -119.8 41.49 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -50.48 -44.56 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.8 -41.25 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.75 HD13 ' HA ' ' A' ' 85' ' ' LYS . 14.7 mt -72.4 -45.33 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 100' ' ' TYR . 49.1 mm -51.75 -47.05 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -76.05 -39.91 54.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.06 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.73 -32.39 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -80.77 -37.96 29.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -53.51 -29.22 35.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -28.43 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -69.9 -26.52 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.88 0.371 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.5 t -59.24 116.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -84.26 -50.43 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.692 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.5 OUTLIER -172.36 175.76 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.3 t -80.0 141.6 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.658 HD13 ' HG3' ' A' ' 88' ' ' LYS . 3.3 tm? -93.57 -49.41 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.658 ' HG3' HD13 ' A' ' 87' ' ' LEU . 69.8 mttt -156.59 162.78 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -118.67 139.03 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -148.0 147.85 30.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.4 ttm -71.57 147.99 47.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -122.83 157.18 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -128.47 134.95 48.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -136.59 135.2 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.534 HD22 ' CB ' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -81.78 142.27 32.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 mt -101.06 136.73 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.405 ' NZ ' HD23 ' A' ' 87' ' ' LEU . 25.5 mtpp -103.61 146.37 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -102.54 125.37 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -51.58 120.96 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 94.52 -33.8 5.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.38 124.47 49.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -111.45 96.54 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.38 157.85 49.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -164.51 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.3 -10.81 46.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.1 16.89 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -58.47 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.65 114.39 19.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.462 ' CH2' HD11 ' A' ' 101' ' ' LEU . 43.4 m95 -83.99 115.49 22.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -107.2 146.91 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.6 t -88.26 -178.77 5.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.45 -24.04 53.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.26 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.77 -23.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.91 -34.1 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -67.47 -19.15 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -101.98 -41.74 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.44 41.92 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -45.53 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.54 -37.5 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.692 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.5 mt -73.25 -48.84 31.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.1 mm -51.72 -45.5 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.04 -39.71 55.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.13 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -57.73 -36.2 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -77.22 -37.44 53.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.63 -46.93 86.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.11 -24.66 54.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.549 -179.905 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.826 0.346 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.3 t -61.65 115.81 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.19 -43.34 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.589 ' HA ' HD13 ' A' ' 127' ' ' LEU . 7.8 ptpt -171.86 174.96 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.8 137.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -89.47 -47.92 7.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -166.96 163.88 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -117.46 152.34 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -159.79 146.74 16.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.4 ttm -74.72 142.59 44.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -141.96 144.46 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -116.17 150.77 36.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -136.78 143.42 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 113' ' ' ASN . 17.7 mt -81.63 141.72 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 116' ' ' SER . 14.9 mt -100.02 108.33 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.742 ' HG3' HD23 ' A' ' 87' ' ' LEU . 9.0 ttmt -79.89 126.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.23 143.58 33.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.21 119.07 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.43 -33.26 5.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -103.87 124.69 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -112.78 97.47 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 158.13 51.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -164.55 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.512 ' O ' HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -65.19 -11.72 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.39 16.42 5.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.808 ' HB3' HD22 ' A' ' 101' ' ' LEU . 2.1 t-20 -60.43 -163.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.77 115.51 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -81.78 118.93 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.714 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -112.06 142.75 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 58.5 m -85.13 175.43 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.98 -25.93 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.53 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.9 -30.41 40.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.5 m -54.74 -26.92 37.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -52.19 -29.77 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.66 -35.59 7.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.4 ' HB3' HD12 ' A' ' 127' ' ' LEU . 78.7 m -97.15 33.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -48.15 54.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.18 -35.0 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.3 mt -74.06 -45.68 47.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.65 -44.51 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.04 -40.13 54.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.59 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.78 -39.11 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -70.91 -33.2 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.77 -35.42 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -29.12 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -76.23 -30.41 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.862 0.363 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.6 t -60.39 115.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.76 -54.95 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' A' ' 127' ' ' LEU . 13.4 ptmt -159.87 174.83 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.27 136.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.447 HD23 ' HE2' ' A' ' 103' ' ' LYS . 0.6 OUTLIER -88.27 -57.23 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -142.18 165.4 27.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -121.53 162.33 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 -154.61 153.46 31.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.9 ttm -96.99 134.7 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.898 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -151.43 161.14 43.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -117.61 148.27 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -149.84 130.74 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 113' ' ' ASN . 3.0 tp -81.89 136.65 35.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.526 HD22 ' CG1' ' A' ' 83' ' ' VAL . 63.9 mt -100.46 142.88 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.447 ' HE2' HD23 ' A' ' 87' ' ' LEU . 5.7 ttmm -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -89.74 142.68 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.81 119.05 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 -31.81 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -102.61 128.56 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.12 98.11 7.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.23 158.86 51.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -6.22 43.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.35 15.21 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.645 ' HB2' HD21 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -53.77 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.9 t -80.59 129.77 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -88.34 154.23 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 t -139.74 135.48 33.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 t -89.07 169.6 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.3 -29.89 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.74 53.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.7 -28.3 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.3 m -55.8 -26.07 44.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.8 p -56.08 -26.88 51.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.23 -34.69 11.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.0 m -103.12 34.01 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -50.34 -42.41 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -52.86 -42.43 65.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.561 ' CD1' HG12 ' A' ' 83' ' ' VAL . 17.8 mt -72.47 -44.5 62.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.1 mm -51.72 -48.34 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -75.92 -39.86 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.31 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.01 -44.83 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -69.24 -36.26 77.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.08 -47.34 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.25 -25.98 66.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -81.74 -38.86 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.807 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.87 0.367 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.607 HG11 HD22 ' A' ' 102' ' ' LEU . 21.0 t -63.0 116.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -93.47 -49.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -154.75 141.17 18.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.9 t -69.1 123.91 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.762 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -71.21 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -156.38 175.85 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -127.14 162.38 26.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -148.86 161.76 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.9 ttt -99.61 146.19 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.878 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -115.77 154.85 28.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -126.91 146.95 50.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -146.05 129.86 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.658 HD23 ' CB ' ' A' ' 87' ' ' LEU . 4.4 tp -81.73 133.71 35.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.607 HD22 HG11 ' A' ' 83' ' ' VAL . 76.7 mt -96.26 140.1 31.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.762 ' HG3' HD23 ' A' ' 87' ' ' LEU . 2.8 tttt -110.66 128.37 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -73.2 135.3 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.98 119.64 11.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.16 -32.38 5.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -103.13 124.86 49.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.95 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.6 97.78 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.47 158.59 51.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.577 0.703 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -12.0 58.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.21 15.49 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.525 ' HB3' HD21 ' A' ' 101' ' ' LEU . 8.1 t-20 -57.53 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.42 136.81 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -103.62 154.36 19.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.34 144.91 49.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p -90.4 -178.78 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -59.84 -25.98 65.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.11 -36.91 61.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.44 -22.31 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 28.6 t -52.95 -28.79 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.3 t -80.12 -31.63 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -80.2 -41.82 11.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 127' ' ' LEU . 30.4 p -112.48 34.9 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -50.42 -40.69 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -53.78 -43.27 69.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' A' ' 124' ' ' CYS . 34.1 mt -72.55 -43.74 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 41.9 mm -51.73 -50.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.0 -41.23 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.69 -38.48 55.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -65.01 -53.6 43.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -58.74 -37.38 76.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -63.62 -28.6 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -68.32 -29.94 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -80.24 -28.36 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.873 0.368 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.619 HG22 HD13 ' A' ' 102' ' ' LEU . 20.6 t -61.51 116.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -96.34 -55.06 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -146.07 174.87 10.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.3 t -101.97 121.55 53.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.591 ' CB ' HD23 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -71.77 -61.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -154.61 174.03 15.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -123.5 161.41 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -147.15 144.89 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 35.7 mtp -80.0 144.77 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 179.873 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -127.71 162.62 26.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -127.43 147.97 50.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -148.16 133.03 18.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.591 HD23 ' CB ' ' A' ' 87' ' ' LEU . 2.8 tp -81.69 129.3 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.619 HD13 HG22 ' A' ' 83' ' ' VAL . 46.7 mt -87.16 143.4 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.555 ' HE2' HD23 ' A' ' 87' ' ' LEU . 6.1 ttmm -114.65 124.98 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -74.39 139.84 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 118.92 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.8 -32.23 5.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.86 124.9 49.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.986 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -108.64 97.55 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.64 159.06 50.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -166.16 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.34 -11.56 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.9 15.26 10.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.519 ' CB ' HD21 ' A' ' 101' ' ' LEU . 6.7 t-20 -59.3 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.59 130.02 34.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -100.23 134.11 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . 0.4 ' HB2' HD11 ' A' ' 102' ' ' LEU . 2.7 t -121.35 144.4 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -68.37 177.57 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.02 -27.21 60.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.7 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -68.1 -19.84 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.2 p -53.61 -25.34 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.0 t -68.21 -32.41 72.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.17 -41.84 4.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 29.1 p -101.92 33.42 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -42.95 53.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.56 -41.05 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.565 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.3 mt -72.74 -45.58 57.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.4 mm -51.86 -47.37 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.95 -39.84 55.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.27 -54.33 47.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -61.38 -37.6 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -56.62 -27.71 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.42 -28.03 63.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -78.16 -25.93 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.908 0.385 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.57 115.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.536 ' HA ' HD22 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -170.16 174.29 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 127' ' ' LEU . 94.2 t -79.43 124.47 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.614 ' CB ' HD23 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -70.9 -57.99 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -160.62 169.09 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -118.18 162.68 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -152.65 167.99 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 ptm -116.75 120.54 38.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -149.17 171.07 17.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.872 0.367 . . . . 0.0 110.932 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.44 168.68 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -144.14 128.22 17.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.834 HD21 ' HB2' ' A' ' 113' ' ' ASN . 5.6 tp -81.88 134.02 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.44 141.71 28.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.528 ' HG3' HD23 ' A' ' 87' ' ' LEU . 64.0 tttt -116.42 140.55 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -93.33 138.78 31.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -72.3 121.43 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.33 -32.23 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -102.93 124.71 48.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -107.94 97.41 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.82 159.08 49.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -67.41 -9.64 43.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -86.94 15.76 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.834 ' HB2' HD21 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -52.73 175.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -79.77 127.98 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -94.81 151.34 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 p -130.65 142.18 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.3 m -86.69 179.08 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.8 -30.02 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.83 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.74 -24.48 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 30.4 t -51.94 -32.03 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -80.82 -32.58 35.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -75.08 -39.72 36.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.417 ' HB3' HD12 ' A' ' 127' ' ' LEU . 75.6 m -104.45 36.37 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -44.32 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -51.92 -41.55 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.674 ' HB3' HG23 ' A' ' 86' ' ' VAL . 15.8 mt -72.53 -44.4 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.3 mm -52.14 -47.94 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.85 -39.95 55.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -56.3 -56.79 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -69.22 -27.51 65.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.18 -31.13 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.81 -29.48 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -88.06 -32.41 18.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.844 0.354 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.699 HG11 HD22 ' A' ' 102' ' ' LEU . 25.4 t -61.79 115.54 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.13 -33.6 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.497 ' HA ' HD13 ' A' ' 127' ' ' LEU . 16.2 ptmt -174.35 175.48 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.4 t -93.1 143.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.467 HD23 ' NZ ' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -90.53 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -144.91 175.35 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -124.47 139.2 54.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -138.65 154.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.6 mtp -89.85 151.09 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -118.14 137.0 53.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -124.13 133.49 53.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -120.04 147.07 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.589 HD12 ' CD1' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -81.77 130.69 35.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.699 HD22 HG11 ' A' ' 83' ' ' VAL . 58.4 mt -93.24 126.09 38.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.467 ' NZ ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.63 135.76 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -83.11 130.02 35.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.13 118.99 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 -32.73 5.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -103.26 124.67 49.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -97.72 96.67 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.28 158.95 48.58 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.633 0.73 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -8.88 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.64 16.85 11.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB2' HD21 ' A' ' 101' ' ' LEU . 5.6 t-20 -59.22 -169.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.8 t -79.73 139.82 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . 0.589 ' CD1' HD12 ' A' ' 101' ' ' LEU . 20.5 m0 -99.84 148.36 24.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.6 p -129.3 128.76 43.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.801 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 t -85.3 176.72 8.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.31 -29.97 59.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.85 99.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.47 -27.06 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -53.42 -29.01 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.1 t -56.88 -24.9 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.71 -41.15 7.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 127' ' ' LEU . 28.3 p -107.3 37.36 2.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -50.38 -46.06 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.1 -39.55 59.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 85' ' ' LYS . 35.4 mt -72.42 -46.01 57.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.9 mm -52.51 -47.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.45 -39.37 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.48 83.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -56.16 -45.56 79.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.2 -42.8 88.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -58.13 -46.24 85.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.59 -29.3 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -80.24 -27.26 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.888 0.375 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.484 ' CG1' HD22 ' A' ' 102' ' ' LEU . 21.9 t -67.26 115.38 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -82.29 -54.98 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.73 ' HA ' HD22 ' A' ' 127' ' ' LEU . 7.4 ptmt -172.41 174.87 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.669 HG23 ' HB3' ' A' ' 127' ' ' LEU . 97.2 t -73.89 121.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.525 HD12 ' CD2' ' A' ' 101' ' ' LEU . 3.2 tm? -77.31 -59.4 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.497 ' HB3' HD13 ' A' ' 87' ' ' LEU . 18.3 ptmt -141.93 175.78 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -136.38 138.99 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -147.31 154.57 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpp -86.52 145.38 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -109.26 167.3 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -145.01 134.63 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.461 ' HB3' HG13 ' A' ' 86' ' ' VAL . 8.1 m-85 -120.36 138.83 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 113' ' ' ASN . 5.3 tp -82.42 135.68 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.493 ' HB2' HG23 ' A' ' 114' ' ' THR . 21.5 mt -87.15 143.37 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -114.45 147.08 39.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -94.53 132.01 39.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -66.8 118.86 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.39 -32.32 5.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -103.01 124.85 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -100.26 97.73 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.45 158.48 51.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -169.21 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.374 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -7.55 52.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.86 15.16 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' HB3' HD21 ' A' ' 101' ' ' LEU . 6.7 t-20 -58.48 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.493 HG23 ' HB2' ' A' ' 102' ' ' LEU . 14.6 t -80.64 134.03 35.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -97.46 152.5 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -132.27 128.11 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -60.74 -178.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -73.73 -31.79 63.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.58 -23.53 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -68.4 -19.9 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.85 -25.14 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.7 t -68.69 -32.17 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -102.1 -17.99 18.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.582 ' HB3' HD12 ' A' ' 127' ' ' LEU . 94.0 m -117.31 28.96 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.932 0.396 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -50.14 -51.86 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -51.63 -33.29 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.73 HD22 ' HA ' ' A' ' 85' ' ' LYS . 24.4 mt -73.88 -46.99 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.8 mm -56.06 -43.21 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.86 -40.38 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.92 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.86 -49.58 74.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -61.39 -33.44 73.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.76 -38.72 82.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.24 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -82.19 -28.15 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.1 t -130.23 124.24 32.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -99.93 43.58 1.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.6 tpp -56.16 135.72 53.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -68.65 -74.12 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.0 p -130.88 162.33 29.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 42.89 2.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.5 p -110.6 141.64 43.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -88.29 -74.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 45.1 t -150.11 166.98 28.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -135.18 117.78 15.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.21 136.91 48.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.46 170.24 8.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -83.91 -64.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 53.55 48.18 22.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -102.48 126.53 49.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.79 144.56 37.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -142.64 126.14 16.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -142.85 147.06 34.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -103.79 -178.45 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -128.34 124.11 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.74 -157.64 7.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 156.52 95.1 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -100.34 158.97 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -89.54 130.58 35.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -116.21 123.14 47.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -63.07 126.09 26.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -51.0 63.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 50.15 33.46 7.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.29 158.67 35.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -96.67 167.29 11.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.2 t -134.56 150.44 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 127' ' ' LEU . 18.2 t -69.57 114.32 6.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -82.46 -52.93 6.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.614 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -166.41 174.96 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 127' ' ' LEU . 94.3 t -77.44 141.23 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 -49.24 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -154.83 164.22 39.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -117.55 138.89 51.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -145.81 137.02 24.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 70.9 mtp -84.65 150.95 24.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.37 109.41 13.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -60.94 -26.61 67.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -71.85 -17.37 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.89 22.39 25.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.65 -80.24 0.86 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -154.42 -139.88 2.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.554 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -107.1 152.52 23.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 110.933 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -127.48 146.53 50.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -145.83 136.75 24.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.622 HD11 ' CH2' ' A' ' 115' ' ' TRP . 1.1 mt -81.74 142.45 32.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 30.7 mt -94.59 125.22 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -98.36 119.67 37.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -74.6 133.3 42.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -61.12 122.98 16.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.62 -33.03 5.19 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -103.55 124.69 49.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.849 0.357 . . . . 0.0 110.931 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -110.34 96.52 6.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.65 159.2 47.01 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -165.02 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -68.24 -9.34 46.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.78 16.05 7.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.526 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.6 t-20 -59.64 -168.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.488 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -84.67 120.96 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.622 ' CH2' HD11 ' A' ' 101' ' ' LEU . 35.1 m95 -90.13 119.09 30.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.06 140.82 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.0 p -75.93 169.48 18.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -55.17 -27.15 43.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.05 65.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -68.5 -20.74 64.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 49.2 t -55.4 -32.73 62.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -70.42 -22.63 62.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -96.02 -41.83 3.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.45 ' HB3' HD12 ' A' ' 127' ' ' LEU . 59.7 m -113.22 39.3 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.1 pttp -50.21 -47.96 54.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -51.97 -37.06 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 85' ' ' LYS . 25.3 mt -73.03 -49.1 30.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.9 mm -51.69 -45.27 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -75.88 -39.53 56.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.96 -47.0 78.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -55.47 -36.39 66.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -75.54 -39.45 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -61.09 -41.61 96.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.09 -27.12 69.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -76.07 -33.42 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 102.8 29.16 5.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -99.7 139.9 14.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -72.28 159.6 84.97 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.659 0.742 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 163.03 39.77 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.63 156.83 2.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.604 0.716 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 140.13 41.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 55.9 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -118.35 -66.59 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.6 m80 54.16 49.07 19.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -139.89 135.39 32.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -116.84 74.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 62.25 58.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -143.02 136.86 28.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 t 52.11 44.26 29.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -123.88 113.56 18.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.8 p 55.71 26.58 9.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -84.58 65.83 9.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.59 114.54 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.2 mt -52.15 155.8 1.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.55 92.4 3.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -89.99 102.64 15.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -113.71 139.6 48.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.94 133.51 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.045 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -83.58 -69.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 59.72 30.57 20.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -82.41 150.73 26.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -172.63 136.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.31 147.68 4.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.96 -38.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.568 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -146.66 156.89 43.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -120.52 144.32 48.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -93.63 138.37 31.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -125.32 150.67 46.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -113.59 137.16 51.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -126.22 155.76 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -161.23 137.66 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -83.77 156.4 22.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.37 150.09 31.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.137 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.1 t -62.28 115.86 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -83.09 -52.23 6.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.596 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -170.66 175.15 4.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.471 HG23 ' HB3' ' A' ' 127' ' ' LEU . 98.4 t -70.71 143.48 14.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.44 HD23 ' HB2' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -98.26 -36.96 9.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -168.15 162.9 13.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -117.65 138.89 51.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -140.49 144.06 35.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 ttm -89.5 109.61 20.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.24 110.1 11.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -83.54 -29.29 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -91.39 -17.46 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.44 -27.52 17.48 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.07 36.42 35.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -163.52 -131.0 1.17 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.452 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -130.77 157.76 41.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.913 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -130.8 144.42 51.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -146.21 134.11 21.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.598 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.1 mt -81.78 142.35 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.939 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.23 127.83 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' HB2' HD23 ' A' ' 87' ' ' LEU . 31.7 tttm -98.86 145.54 26.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -98.29 134.53 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.72 121.59 14.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.65 -32.73 5.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -103.43 124.69 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.903 0.382 . . . . 0.0 110.919 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -106.77 96.78 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.18 158.9 48.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.683 0.754 . . . . 0.0 110.822 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.1 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -4.93 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -89.24 15.95 8.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.556 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -58.34 -171.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.463 ' C ' HD23 ' A' ' 101' ' ' LEU . 8.0 t -85.57 126.63 34.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.598 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 41.5 m95 -93.51 117.04 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.5 p -99.53 142.73 30.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.1 m -79.2 -178.76 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.53 -25.73 68.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.82 -24.96 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.34 -27.11 52.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 63.4 m -59.83 -24.07 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.7 t -52.06 -30.99 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.25 -29.86 3.83 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.9 m -95.81 24.95 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -49.96 -51.46 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.4 -35.1 37.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' ' 85' ' ' LYS . 21.4 mt -72.27 -47.89 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.7 mm -54.29 -46.24 68.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.15 -39.92 65.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.16 -51.28 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -54.08 -48.62 70.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -64.8 -36.14 83.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -70.29 -27.15 64.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -61.38 -29.73 70.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -99.13 25.97 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.01 22.83 60.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -64.89 173.21 18.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.447 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -97.85 159.94 29.71 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 175.54 7.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.12 153.63 79.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.78 68.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.34 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.811 -179.81 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.4 t -111.72 46.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 58.02 46.79 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.1 mtt -141.76 108.06 5.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -101.93 37.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t 62.28 32.66 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -59.25 117.8 5.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 m -121.28 135.5 55.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 t -81.0 141.8 34.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t -69.04 108.16 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -91.92 97.81 11.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -118.47 116.77 27.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.2 mt -95.41 129.21 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -90.45 164.68 14.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -107.42 -11.85 15.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.4 m120 57.88 32.85 22.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.66 144.73 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -128.63 115.16 17.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -80.87 96.34 6.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -105.56 124.01 48.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -129.26 125.15 36.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.38 164.31 45.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.65 77.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -77.98 147.07 35.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -129.04 123.08 31.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -100.34 156.17 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -102.9 26.2 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -157.48 167.09 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -121.53 107.11 12.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -124.53 161.51 25.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -81.96 114.6 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 p -136.28 144.82 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 127' ' ' LEU . 20.7 t -61.81 116.44 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -83.1 -53.11 6.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.586 ' HA ' HD13 ' A' ' 127' ' ' LEU . 3.1 pttm -169.18 175.07 5.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.555 HG23 ' HB3' ' A' ' 127' ' ' LEU . 43.8 t -73.65 144.17 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -97.66 -38.45 9.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -172.96 152.9 2.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -117.56 138.71 51.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.79 156.58 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 23.5 ptm -97.19 154.13 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.64 142.41 49.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.051 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -79.69 -29.76 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -70.24 -17.46 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.93 31.5 5.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -78.57 -78.52 0.82 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -170.35 -106.69 0.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -135.54 151.32 50.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -138.68 134.94 34.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -118.29 132.96 56.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.466 HD22 ' CB ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -81.77 142.47 32.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.422 HD11 ' HB3' ' A' ' 116' ' ' SER . 8.9 mt -99.06 131.48 45.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.38 123.68 47.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -74.2 136.61 42.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -65.3 123.76 20.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.21 -33.19 5.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.521 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.922 0.392 . . . . 0.0 110.928 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.98 96.26 6.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.57 158.71 48.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -165.35 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.95 -6.07 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -90.62 15.99 9.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.466 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -59.55 -169.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.424 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.2 t -82.05 128.9 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.43 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 36.4 m95 -95.66 116.97 29.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.422 ' HB3' HD11 ' A' ' 102' ' ' LEU . 12.6 p -102.62 130.55 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.2 m -54.97 174.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.801 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -68.74 -32.47 72.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.94 -23.34 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -70.44 -19.78 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 7.5 p -55.8 -23.7 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.7 t -69.34 -22.06 63.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -105.12 -19.76 10.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.542 ' HB2' HD12 ' A' ' 127' ' ' LEU . 23.5 p -126.47 34.49 4.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -49.89 -52.41 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -51.45 -33.34 30.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 85' ' ' LYS . 24.9 mt -73.68 -46.7 44.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.37 -43.05 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.86 -39.84 55.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.65 -50.67 72.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -58.95 -39.93 83.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -70.78 -30.98 67.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -64.74 -29.07 70.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -65.41 -27.69 68.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -84.76 -30.15 24.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 102.78 41.9 2.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -71.86 168.67 51.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -82.59 160.45 61.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.837 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 140.09 41.6 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -120.05 73.69 19.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.643 0.735 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 129.21 17.13 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.853 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.3 t -130.56 172.5 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -146.26 168.51 20.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ptp -138.49 139.71 38.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.3 mp0 -114.23 30.89 6.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.0 p -78.5 164.35 24.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.15 163.16 29.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.0 m -137.03 115.04 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.2 p -135.71 151.74 50.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.3 t -114.05 159.01 20.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -114.41 -43.24 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -114.93 144.09 44.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -130.36 127.25 39.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.545 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -137.19 178.73 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -157.17 158.39 36.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -96.81 148.43 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.77 23.61 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -52.5 119.99 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -154.33 148.02 25.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 52.08 54.89 10.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -71.81 129.51 38.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 160.93 -143.97 9.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.98 47.57 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -88.11 125.15 34.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -80.77 169.9 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -154.73 131.25 10.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -115.56 -27.97 6.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -149.77 156.23 41.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -68.94 160.93 29.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -93.08 173.03 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -79.66 107.1 12.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.9 t -136.29 150.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.662 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.1 t -71.36 114.85 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -112.53 -19.29 12.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.02 175.83 11.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.5 t -109.8 138.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -53.63 5.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -161.92 171.99 16.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -124.93 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.82 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -134.27 147.27 50.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.7 mtt -89.7 130.3 35.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.71 143.56 41.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -83.21 -35.06 25.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 18.43 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.18 18.34 76.53 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.78 -27.99 37.63 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.87 -109.66 0.79 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.454 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -138.46 136.83 36.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -118.78 142.66 47.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -139.23 140.85 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.678 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.3 mt -81.77 137.45 35.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.512 HD22 HG21 ' A' ' 83' ' ' VAL . 11.6 mt -88.39 128.03 35.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 130.38 44.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -85.6 131.97 34.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -63.55 121.27 13.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.02 5.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -103.55 124.71 49.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.949 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -107.08 96.79 6.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.07 158.5 49.8 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.08 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.1 m -71.84 -6.2 39.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -89.87 15.91 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.56 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t-20 -59.27 -169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.412 ' O ' HD23 ' A' ' 101' ' ' LEU . 6.9 t -87.02 129.8 34.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.678 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 61.1 m95 -95.48 117.85 31.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -104.15 147.25 27.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.9 t -86.04 -178.75 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -68.03 -17.87 64.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.29 -36.24 81.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -80.48 -26.39 38.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.94 -17.57 57.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 t -52.69 -28.5 22.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -106.49 -22.82 7.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 31.5 m -103.4 25.11 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -50.64 -49.43 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -51.32 -36.04 40.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.662 ' CD1' HG12 ' A' ' 83' ' ' VAL . 24.0 mt -72.97 -49.9 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.9 mm -51.78 -44.36 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -75.98 -39.19 56.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.14 86.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -56.61 -37.08 70.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.65 -39.65 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -55.9 -36.92 68.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.04 -26.88 66.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -74.97 -27.35 60.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.62 36.14 2.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.519 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.42 156.76 32.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -96.88 159.31 31.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 176.19 7.11 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 51.8 74.59 0.77 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.0 20.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.877 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.0 m -140.97 162.82 34.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.826 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -117.03 47.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.2 ptp -151.33 152.66 33.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -122.69 95.31 4.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.1 m -104.48 131.98 51.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.73 56.97 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.2 t -85.19 64.15 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 t -63.8 111.86 2.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 t -164.69 122.12 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -134.25 51.27 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -80.99 130.89 35.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.1 tp -140.38 114.31 8.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.98 71.35 9.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.71 80.77 7.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -134.9 168.27 19.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -112.6 23.58 13.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -71.79 143.21 49.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -107.14 48.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -110.96 140.35 45.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -155.08 165.01 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 136.61 132.79 3.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.81 -32.7 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -132.25 127.9 36.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -107.5 -48.32 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -74.22 106.45 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -111.22 26.98 10.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -108.23 176.86 4.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.16 128.78 35.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -105.99 150.92 25.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -81.71 116.05 21.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.8 p -136.21 149.86 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.439 HG12 ' CD1' ' A' ' 127' ' ' LEU . 13.2 t -68.72 115.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -82.01 -54.9 4.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.661 ' HA ' HD13 ' A' ' 127' ' ' LEU . 11.3 ptmt -167.7 174.73 7.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 127' ' ' LEU . 81.4 t -75.91 138.58 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.444 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -94.14 -37.4 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -166.76 162.07 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -117.53 138.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -146.25 164.59 31.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.5 tpp -102.02 120.7 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.12 127.69 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -83.94 -24.06 30.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -17.49 63.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.21 -11.29 51.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.15 -28.1 25.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 131.93 -118.9 2.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -102.3 169.73 8.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.962 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.3 134.93 18.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -130.65 140.23 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.589 HD11 ' CH2' ' A' ' 115' ' ' TRP . 1.1 mt -81.85 141.81 33.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 33.8 mt -95.51 127.83 41.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' HG3' HD23 ' A' ' 87' ' ' LEU . 34.6 tttp -100.91 117.98 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -73.53 133.59 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -61.98 124.62 21.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.08 -33.27 4.96 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -103.87 124.68 49.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.71 96.03 6.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.93 159.15 46.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.64 0.734 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -165.12 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.2 m -68.77 -8.77 46.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.0 16.1 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.532 ' HB3' HD22 ' A' ' 101' ' ' LEU . 1.6 t-20 -59.64 -168.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.46 ' C ' HD23 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -83.97 123.09 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.589 ' CH2' HD11 ' A' ' 101' ' ' LEU . 33.3 m95 -92.92 118.58 31.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.52 137.28 41.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.9 p -59.24 178.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.89 -28.31 61.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.86 -23.46 31.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -69.28 -19.84 63.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 p -55.33 -24.28 28.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -72.62 -27.97 62.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.797 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.3 -41.86 4.14 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -108.87 38.26 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -40.51 50.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -35.11 73.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.661 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.3 mt -75.22 -44.75 44.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.0 mm -57.79 -43.42 84.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.98 -40.67 53.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.64 -47.86 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -57.74 -44.18 85.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -68.1 -35.14 77.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.55 -31.22 71.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.45 -32.81 74.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -74.76 -28.59 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.17 32.48 4.01 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -77.67 165.32 52.56 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 12.0 mmt-85 -79.17 159.46 72.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.66 54.76 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.95 160.5 15.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.7 28.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.28 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.875 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.7 m -147.51 176.35 10.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -94.79 168.38 10.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.8 ptp -144.48 156.33 44.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -108.79 48.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 t -153.09 128.89 10.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 56.5 35.89 26.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 p -77.98 147.06 35.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.5 m -76.14 -38.71 56.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t 55.13 41.06 31.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -90.37 132.62 35.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 121.41 35.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.0 mt -95.58 84.56 3.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.75 174.03 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.29 147.39 49.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -119.09 165.2 14.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.08 121.57 24.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.48 149.62 34.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -144.46 143.8 31.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -160.86 118.09 2.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -153.73 135.37 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 151.61 123.18 1.05 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.428 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.54 39.6 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -110.26 68.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -122.03 64.75 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -117.19 92.85 3.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -138.76 115.78 10.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -149.33 167.62 25.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.3 118.64 19.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -134.8 179.11 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -94.68 125.31 39.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.21 124.96 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 83' ' ' VAL . 3.7 p -54.79 116.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -94.32 -48.56 6.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -157.74 174.18 15.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG21 HD13 ' A' ' 128' ' ' ILE . 90.7 t -74.64 138.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.622 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -84.23 -50.28 8.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -156.76 164.53 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -117.6 140.59 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -149.94 140.67 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.7 ptm -103.3 136.15 43.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.6 135.8 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.17 -26.49 33.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -17.46 63.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.8 19.58 10.17 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.75 -91.43 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -156.8 -106.48 0.24 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -138.94 155.99 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -139.45 153.22 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -145.63 135.94 23.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.579 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.2 mt -81.91 142.47 32.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 116' ' ' SER . 8.5 mt -97.03 112.86 24.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.622 ' HG3' HD23 ' A' ' 87' ' ' LEU . 28.7 tttt -86.11 127.23 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -78.91 132.59 36.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -61.57 123.6 18.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.24 -33.14 5.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -103.65 124.7 49.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.48 96.12 6.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.69 158.71 47.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.58 0.705 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -165.26 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.643 2.228 . . . . 0.0 112.298 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.59 -6.23 42.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.7 16.09 9.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.544 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -59.5 -168.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 7.9 t -83.63 124.98 31.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.579 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 76.2 m95 -91.4 116.21 28.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.549 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -101.07 147.06 26.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 m -74.51 163.04 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -60.96 -24.23 65.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.36 -26.05 51.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -19.91 63.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -55.05 -35.02 64.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.49 -17.1 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.33 -41.9 1.33 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.4 m -108.87 37.19 2.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.884 0.373 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -50.3 -47.44 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -52.23 -37.0 53.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 85' ' ' LYS . 16.5 mt -73.06 -48.97 31.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.443 HD13 HG21 ' A' ' 86' ' ' VAL . 40.6 mm -53.21 -45.81 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.37 -39.53 62.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.05 70.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.15 -34.9 77.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -72.35 -35.7 68.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -65.2 -25.84 67.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.85 -25.99 65.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -85.07 -26.27 27.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.62 42.71 1.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -96.05 176.96 33.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -90.78 159.45 40.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.743 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 164.8 33.23 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.29 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -85.16 160.55 54.53 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.688 0.756 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 131.38 21.0 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.293 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -160.8 147.42 15.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.402 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -141.93 122.39 14.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 16.1 tpp -144.01 141.87 30.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.17 -9.73 29.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.98 55.47 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -76.72 110.4 11.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -113.42 176.62 4.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 m -144.25 139.98 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.7 p -164.26 149.43 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -167.26 147.57 5.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -148.32 123.52 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 tt -132.23 130.86 41.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.63 177.99 9.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -118.24 171.26 8.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -128.42 140.43 51.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.58 156.69 27.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -142.45 160.61 39.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -157.83 126.85 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -125.93 137.53 53.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -156.36 148.31 23.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 155.83 109.89 0.32 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -156.57 75.57 0.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.547 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -103.15 96.99 7.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.78 144.18 47.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -102.74 105.49 15.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -107.57 50.75 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -55.91 164.29 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -52.11 105.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -123.91 163.59 20.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -107.1 116.37 31.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.21 146.07 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 19.3 t -61.31 116.58 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -79.07 -51.05 10.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.573 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -167.86 175.26 6.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.575 HG23 ' HB3' ' A' ' 127' ' ' LEU . 90.2 t -75.76 144.32 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.144 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.541 HD23 ' CG ' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -97.37 -41.36 8.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -163.19 160.16 23.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -117.48 138.89 51.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 47.9 mmt-85 -150.61 148.55 28.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.7 ptp -103.42 142.75 33.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.88 132.69 47.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -61.04 -35.04 75.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -74.03 -17.46 60.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.54 38.56 8.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.65 -64.35 1.38 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.75 -135.8 2.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.52 163.73 22.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.863 0.363 . . . . 0.0 110.943 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -142.81 143.43 32.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.467 ' CG ' HD12 ' A' ' 128' ' ' ILE . 6.6 m-85 -138.51 138.25 37.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 114' ' ' THR . 0.5 OUTLIER -81.68 142.46 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.72 140.49 31.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.541 ' CG ' HD23 ' A' ' 87' ' ' LEU . 7.2 tmtt? -113.39 147.36 37.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.73 128.49 46.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -63.07 123.85 19.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.69 -32.66 5.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -103.39 124.84 49.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.926 0.393 . . . . 0.0 110.922 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.65 96.62 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 159.09 48.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.71 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -165.28 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 35.4 m -75.0 -3.58 33.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -89.75 16.0 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.547 ' CB ' HD22 ' A' ' 101' ' ' LEU . 4.5 m-20 -55.96 -177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.74 ' O ' HD23 ' A' ' 101' ' ' LEU . 11.1 t -83.81 131.82 34.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.723 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 36.4 m95 -97.55 121.01 38.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.4 p -101.0 132.01 46.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.6 p -67.58 -179.01 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -60.86 -28.59 68.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.12 -24.3 53.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.38 -21.81 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 44.3 t -52.59 -39.61 61.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.8 t -68.67 -27.85 66.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -82.96 -41.91 8.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.45 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.469 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.0 p -114.71 41.31 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -49.91 -49.24 50.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -51.72 -36.98 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.575 ' HB3' HG23 ' A' ' 86' ' ' VAL . 29.3 mt -72.26 -47.82 47.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 100' ' ' TYR . 46.2 mm -52.98 -46.06 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.97 -40.19 63.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.91 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.061 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -54.46 -36.75 64.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 34.5 m95 -74.54 -35.83 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -62.41 -29.87 70.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -26.49 65.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -107.62 24.9 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 82.89 26.34 45.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.44 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -69.33 150.43 49.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -99.12 159.13 30.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.618 0.723 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.78 4.24 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -101.19 160.52 26.4 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.69 0.757 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.12 5.49 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.852 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.6 p -141.35 124.75 16.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.831 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -164.26 155.44 15.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 18.4 ptp -153.92 141.6 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.49 81.25 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 57.2 p -122.55 -35.88 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.5 mttp -81.71 106.74 13.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -117.11 -55.99 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -158.28 135.63 10.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t -149.22 124.53 10.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -166.89 113.68 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -91.81 69.53 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.5 tp 50.63 51.79 16.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -73.14 114.51 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -77.77 89.46 4.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -98.55 62.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.53 163.23 33.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 130.71 34.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -112.97 -32.03 6.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -92.79 101.84 14.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -114.08 145.41 41.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.84 129.34 5.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.0 63.45 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -86.93 113.14 22.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -126.76 143.87 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -85.53 125.96 33.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -96.21 70.02 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -174.36 167.5 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.6 t0 58.43 53.3 6.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -110.44 176.19 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -82.43 107.6 15.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.1 p -136.33 144.25 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.673 HG12 ' CD1' ' A' ' 127' ' ' LEU . 9.5 t -68.06 114.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -111.73 -19.28 12.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.493 ' N ' HD13 ' A' ' 127' ' ' LEU . 0.4 OUTLIER -155.95 175.45 13.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.423 HG23 ' HB3' ' A' ' 127' ' ' LEU . 98.6 t -105.96 122.15 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.703 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -70.81 -31.03 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.82 179.09 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -137.58 138.8 39.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -143.28 171.15 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 ttp -110.63 141.85 43.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.79 117.05 20.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -77.61 -19.6 55.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -69.83 -17.44 63.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.64 -13.15 53.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.16 -27.82 24.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.89 -106.87 0.57 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -133.15 159.66 39.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -141.91 133.35 26.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -110.56 178.69 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.703 HD22 ' CB ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -117.13 132.14 56.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.616 HD11 ' OG ' ' A' ' 116' ' ' SER . 42.5 mt -85.69 144.0 28.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.453 ' HD2' HD22 ' A' ' 87' ' ' LEU . 36.6 tttt -123.76 130.1 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -86.97 141.18 28.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.5 126.25 32.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.75 -33.44 4.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -103.67 124.7 49.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -100.25 95.36 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.12 159.52 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -165.69 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.46 -1.43 33.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -90.87 15.25 11.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.466 ' CB ' HD21 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -56.65 -177.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.601 ' CG2' HD12 ' A' ' 102' ' ' LEU . 5.5 t -85.4 137.88 32.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.6 m95 -104.71 127.59 52.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.616 ' OG ' HD11 ' A' ' 102' ' ' LEU . 1.5 m -102.55 146.88 27.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.4 m -83.15 -178.7 7.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -64.02 -42.46 97.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.39 -23.54 49.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -20.58 54.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 76.7 m -62.14 -17.45 57.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.3 t -63.39 -16.27 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.41 -41.81 1.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.59 28.32 5.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -49.58 -47.81 49.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -51.65 -40.45 59.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.673 ' CD1' HG12 ' A' ' 83' ' ' VAL . 16.8 mt -69.94 -45.97 66.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.8 mm -52.76 -48.04 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -72.42 -38.44 68.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -55.71 -38.47 69.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 26.5 m95 -69.86 -39.83 76.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -65.98 -28.35 68.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -61.17 -26.11 67.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -89.11 -27.52 20.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.61 38.58 2.37 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -86.27 148.7 22.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -76.9 159.43 78.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 174.96 8.75 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.682 2.254 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -126.93 157.58 71.36 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.752 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 141.77 45.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.274 . . . . 0.0 112.296 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.86 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 t -168.26 155.56 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.4 m170 -66.83 133.54 50.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 13.2 mtt -133.9 117.08 16.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -89.06 -51.26 5.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t 58.71 57.36 3.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -18.5 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -112.38 128.87 56.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.1 t -124.01 156.2 36.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.9 p -113.86 132.28 55.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -97.38 92.88 6.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.24 107.23 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.6 tp -59.08 132.88 55.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -71.99 155.94 39.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -130.69 110.0 11.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -121.11 133.2 55.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.2 156.38 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.079 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -106.77 168.57 9.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -131.44 33.05 4.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -52.05 160.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -111.38 93.8 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.07 -70.54 2.02 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.43 69.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.33 158.89 15.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -73.82 157.46 36.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -57.02 144.57 33.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -76.13 126.84 31.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -121.27 164.96 16.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -126.4 76.51 1.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -81.24 170.58 15.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -87.65 107.01 18.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.24 150.14 27.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.639 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.6 t -66.39 116.18 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -102.41 -26.17 13.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.454 ' CA ' HD13 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -166.76 176.01 7.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.0 t -104.38 140.01 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.3 -52.08 5.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -161.43 167.33 25.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -119.63 139.1 52.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.806 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -138.35 142.7 39.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 39.3 ttm -97.64 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.24 115.11 2.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.062 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -74.06 -47.73 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.63 -17.21 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.82 -19.81 39.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.0 68.95 1.42 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -171.17 -141.6 3.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -137.66 147.55 45.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.943 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -142.03 142.31 32.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -134.56 141.8 46.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.593 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 0.6 OUTLIER -83.99 134.93 34.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 116' ' ' SER . 18.7 mt -89.95 136.98 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -108.56 118.29 36.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -74.02 132.18 42.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.85 124.92 21.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.19 -33.41 4.92 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -103.96 124.52 49.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.966 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -109.93 95.77 5.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.17 159.06 45.77 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.618 0.723 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.656 2.238 . . . . 0.0 112.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -9.77 44.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -88.87 16.55 6.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.497 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.5 t-20 -59.01 -168.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.68 127.59 33.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.593 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 37.2 m95 -97.49 117.21 31.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.482 ' HB2' HD11 ' A' ' 102' ' ' LEU . 23.3 t -109.22 140.13 43.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.7 m -57.36 178.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -73.28 -26.89 61.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.18 -23.42 35.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.61 -19.7 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 8.0 p -54.8 -24.24 21.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.1 t -74.7 -29.94 61.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.01 -37.76 9.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.4 p -118.78 42.59 2.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -49.48 -50.11 42.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -51.63 -37.61 50.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.639 ' CD1' HG12 ' A' ' 83' ' ' VAL . 24.6 mt -72.24 -46.16 57.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 49.0 mm -53.83 -46.26 63.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.65 -39.51 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.69 76.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -57.73 -33.62 68.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -76.86 -38.06 54.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.24 -44.61 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.15 -26.17 66.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -73.1 -26.21 61.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.62 36.88 2.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.53 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -76.51 177.66 51.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -70.48 160.38 81.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.57 0.7 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 171.08 15.08 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -132.64 157.55 78.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 133.09 24.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.743 2.295 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.816 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.6 m 62.47 27.1 16.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.807 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -113.94 129.54 56.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.2 tpp -119.8 120.69 37.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -102.47 101.1 11.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.7 t -86.44 144.5 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.19 161.02 38.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -92.58 62.13 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.8 p -106.14 172.84 6.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 37.9 m -129.25 111.08 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -126.12 151.61 47.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -85.96 136.63 33.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.21 144.19 55.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.77 155.42 45.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -132.98 123.55 26.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 61.52 27.84 17.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -96.1 23.56 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -95.0 -26.25 16.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -95.71 41.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -86.01 -62.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -167.1 145.89 5.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.14 66.75 0.31 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.73 78.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -111.33 141.94 44.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.788 0.327 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 57.24 50.9 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -96.47 150.03 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -130.6 61.26 1.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -110.19 163.72 13.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -147.73 158.55 44.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -145.5 139.35 26.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -86.23 110.72 19.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.35 150.17 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.552 HG12 ' CD1' ' A' ' 127' ' ' LEU . 12.4 t -68.9 115.44 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -96.67 -52.74 3.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.62 175.53 10.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.609 HG23 ' HB3' ' A' ' 127' ' ' LEU . 99.1 t -93.35 140.24 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 -49.84 6.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -155.64 165.28 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -117.57 147.03 43.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.6 mmm-85 -145.29 169.83 17.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.1 ttt -117.49 149.77 40.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.0 132.86 45.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -65.51 -31.78 73.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -82.34 -17.37 45.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.65 19.19 35.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -66.79 -65.72 2.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -152.77 -123.4 0.98 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -140.84 145.45 36.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.899 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -107.74 151.98 24.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -145.55 135.43 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.634 HD11 ' CZ2' ' A' ' 115' ' ' TRP . 1.3 mt -81.59 141.05 34.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.629 HD11 ' OG ' ' A' ' 116' ' ' SER . 14.5 mt -93.78 133.25 37.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -104.51 118.91 37.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -73.33 131.42 41.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -61.95 123.08 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.13 -33.03 5.09 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -103.67 124.66 49.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -107.21 96.56 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.25 158.33 49.48 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.643 0.735 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.371 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -70.72 -7.14 42.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.33 16.08 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.551 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.3 t-20 -58.74 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.429 ' C ' HD23 ' A' ' 101' ' ' LEU . 9.7 t -85.66 127.04 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.634 ' CZ2' HD11 ' A' ' 101' ' ' LEU . 48.1 m95 -93.69 113.82 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.629 ' OG ' HD11 ' A' ' 102' ' ' LEU . 0.5 OUTLIER -99.74 143.64 29.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.814 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.7 t -83.16 -178.63 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.74 -25.08 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.27 -32.82 50.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 -26.31 37.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 48.3 t -51.59 -38.84 56.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 t -56.7 -35.32 68.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -109.52 16.12 31.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 60.9 m -143.0 19.39 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -50.15 -53.16 29.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -50.6 -33.12 20.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.609 ' HB3' HG23 ' A' ' 86' ' ' VAL . 11.2 mt -74.05 -48.81 27.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.47 HD13 HG21 ' A' ' 86' ' ' VAL . 41.9 mm -53.89 -43.36 57.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.96 -40.52 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.59 -49.52 76.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -52.61 -48.76 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.3 m95 -66.1 -37.02 84.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -57.94 -28.07 63.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -71.98 -26.68 62.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -26.66 34.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.37 42.49 2.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.08 160.33 36.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.24 160.44 28.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 110.826 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.41 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.83 67.84 78.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 127.26 14.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.853 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 m -57.6 119.49 6.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -102.77 143.48 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.4 tpt -127.49 128.37 45.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -122.28 30.31 6.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.1 p -78.0 171.71 14.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.71 159.33 40.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 p -121.58 136.11 54.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -101.46 154.87 18.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.0 m -150.57 152.69 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -92.11 142.44 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -105.55 153.89 21.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.98 119.16 32.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 169.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -112.19 136.54 51.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -110.61 111.77 23.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.58 106.71 9.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -69.5 143.55 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -98.92 169.47 9.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -139.36 176.6 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -170.17 140.04 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.52 172.12 24.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.96 82.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.535 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -104.29 172.7 6.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.72 66.22 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -93.61 159.64 15.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -87.77 172.71 9.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -140.28 167.29 22.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.1 t0 55.39 44.25 27.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -128.02 146.04 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -72.74 105.35 4.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.6 t -136.29 151.17 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 127' ' ' LEU . 15.2 t -69.46 115.23 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -88.95 -54.97 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.467 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -156.72 176.05 13.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 127' ' ' LEU . 18.0 t -85.23 129.63 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.618 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -80.95 -31.43 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -177.18 164.3 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -117.47 139.28 51.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -155.14 152.95 30.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.2 ptm -99.21 157.71 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.47 ' HB3' ' H ' ' A' ' 97' ' ' GLY . . . -57.58 120.03 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -60.75 -32.35 71.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -73.64 -17.41 61.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.62 32.33 24.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.32 -25.94 9.79 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.47 ' H ' ' HB3' ' A' ' 92' ' ' ALA . . . -177.44 -129.34 1.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -145.15 162.17 37.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.924 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -144.8 179.3 7.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.484 ' CD1' HD12 ' A' ' 128' ' ' ILE . 91.2 m-85 -147.37 170.56 17.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.618 HD22 ' CB ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -110.13 136.49 49.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.631 HD12 HG23 ' A' ' 114' ' ' THR . 9.9 mt -97.91 143.89 28.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.584 ' HG3' HD23 ' A' ' 87' ' ' LEU . 28.4 tttt -123.81 124.44 42.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -73.64 140.31 46.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -75.38 128.89 36.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.58 -34.0 4.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -104.35 124.69 49.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.93 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -96.98 94.48 7.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.81 159.26 43.59 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.604 0.716 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -166.08 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.26 -1.24 39.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -96.51 16.0 19.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -59.88 -168.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.631 HG23 HD12 ' A' ' 102' ' ' LEU . 14.1 t -80.21 134.86 36.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.155 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -102.54 140.39 36.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.53 ' HB2' HD11 ' A' ' 102' ' ' LEU . 6.0 t -118.69 147.08 44.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.837 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.9 m -73.44 -178.71 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -68.84 -25.64 64.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.0 -26.19 59.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -80.49 -20.37 43.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.0 t -53.68 -36.13 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -68.24 -26.95 65.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -88.91 -41.85 5.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.496 ' HB3' HD12 ' A' ' 127' ' ' LEU . 24.0 m -106.69 33.13 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -50.03 -50.02 48.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -51.27 -36.24 41.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.548 ' HB3' HG23 ' A' ' 86' ' ' VAL . 26.1 mt -73.03 -47.8 41.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.484 HD12 ' CD1' ' A' ' 100' ' ' TYR . 46.8 mm -53.08 -44.87 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -75.92 -39.22 56.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.85 79.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.069 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -54.17 -35.62 62.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -76.79 -36.61 56.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -55.12 -31.69 61.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.45 -30.87 69.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -76.23 -27.33 56.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.801 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 106.76 33.28 3.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -86.09 176.68 48.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -90.72 160.4 38.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.592 0.711 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -175.28 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.63 2.22 . . . . 0.0 112.323 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -98.98 160.48 27.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.635 0.731 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 163.39 38.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.626 2.217 . . . . 0.0 112.395 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 -179.834 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -101.99 172.35 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -101.01 -69.27 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 14.0 ttp -170.92 146.56 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -95.33 104.45 16.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -101.2 75.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -72.85 101.62 3.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.4 t -79.23 84.33 5.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 m -87.88 72.35 9.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.9 p -84.13 116.79 23.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -68.13 146.44 53.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -63.49 112.77 2.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.4 mt -130.6 175.11 9.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -106.13 102.71 12.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -89.73 158.43 17.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -112.3 -48.48 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.87 161.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -77.6 137.91 38.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.09 179.66 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -128.63 107.6 9.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -103.64 161.55 13.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.81 -96.56 2.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 150.15 91.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -90.19 148.11 23.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.338 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -127.39 138.65 53.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -104.04 144.66 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -88.07 85.6 6.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -122.32 171.31 9.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.64 167.25 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -110.3 141.69 42.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -97.61 110.96 23.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.9 p -136.3 141.65 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.578 HG12 ' CD1' ' A' ' 127' ' ' LEU . 27.8 t -54.9 117.57 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -96.17 -34.73 11.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.75 ' HA ' HD13 ' A' ' 127' ' ' LEU . 22.2 ptmt -171.51 175.96 3.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.8 t -91.3 144.17 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.503 HD13 ' HB2' ' A' ' 88' ' ' LYS . 3.3 tm? -98.34 -39.67 8.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.503 ' HB2' HD13 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -168.65 158.06 8.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -117.54 139.0 51.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -143.07 142.34 31.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.73 110.75 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.21 128.23 35.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -83.13 -38.15 22.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -85.85 -17.44 35.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.76 -54.33 2.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.72 29.62 8.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.481 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -145.36 -132.65 2.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -142.22 151.73 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 110.924 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -138.06 137.09 37.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.52 ' CG ' HD12 ' A' ' 128' ' ' ILE . 8.7 m-85 -131.45 137.51 48.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER -82.9 136.71 34.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.78 142.57 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -111.31 145.91 37.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -101.12 120.48 40.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -51.64 125.74 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.47 -33.81 4.78 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -104.39 124.45 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.874 0.369 . . . . 0.0 110.926 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.56 95.99 6.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.91 157.92 48.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -164.84 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 m -69.88 -7.27 38.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -88.67 16.48 6.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.514 ' CB ' HD22 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -57.07 -172.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.453 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.5 t -80.55 125.43 29.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -92.93 114.16 26.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.8 p -99.61 146.53 26.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.1 p -89.34 -178.74 5.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.93 -30.18 23.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.69 -33.76 56.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.52 -25.63 38.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 47.3 t -51.94 -41.9 62.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.8 t -71.07 -27.02 63.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -78.5 -41.7 15.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 19.9 m -119.8 41.49 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -50.48 -44.56 55.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.8 -41.25 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.75 HD13 ' HA ' ' A' ' 85' ' ' LYS . 14.7 mt -72.4 -45.33 60.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 100' ' ' TYR . 49.1 mm -51.75 -47.05 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -76.05 -39.91 54.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.2 -44.06 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -56.73 -32.39 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -80.77 -37.96 29.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -53.51 -29.22 35.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -28.43 66.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -69.9 -26.52 64.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 104.59 34.05 3.68 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.21 178.46 22.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -78.32 159.5 74.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.599 0.714 . . . . 0.0 110.856 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -172.71 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.643 2.229 . . . . 0.0 112.361 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 51.7 74.51 0.78 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.688 0.756 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -177.59 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.816 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.7 m -83.48 161.84 21.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -150.84 164.25 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.14 151.03 6.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -75.93 -74.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.3 t -165.08 159.48 17.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -93.13 103.59 15.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.8 m -106.61 65.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.2 p -91.32 117.12 29.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 m -111.5 115.25 28.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.67 101.56 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.18 125.54 44.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.4 mt -95.19 97.83 10.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -61.76 -56.04 23.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 55.43 44.48 27.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -99.02 179.78 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.81 120.33 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -156.2 170.27 22.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 52.81 42.06 31.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -80.35 -30.74 38.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.38 162.16 30.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.95 141.13 9.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.91 54.47 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.468 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -101.42 113.85 27.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -115.63 157.26 24.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -137.41 143.38 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -154.22 133.61 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -121.88 163.5 19.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.13 179.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -142.53 163.68 32.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -89.1 161.61 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.3 142.25 39.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.5 t -59.24 116.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -84.26 -50.43 7.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.692 ' HA ' HD13 ' A' ' 127' ' ' LEU . 0.5 OUTLIER -172.36 175.76 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.883 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.3 t -80.0 141.6 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.658 HD13 ' HG3' ' A' ' 88' ' ' LYS . 3.3 tm? -93.57 -49.41 5.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.658 ' HG3' HD13 ' A' ' 87' ' ' LEU . 69.8 mttt -156.59 162.78 39.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -118.67 139.03 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -148.0 147.85 30.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.4 ttm -71.57 147.99 47.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.56 138.7 46.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -60.81 -28.47 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.8 -17.43 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.38 38.92 16.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.8 -28.68 3.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -149.19 -147.25 4.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -122.83 157.18 33.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -128.47 134.95 48.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -136.59 135.2 38.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD22 ' CB ' ' A' ' 113' ' ' ASN . 1.0 OUTLIER -81.78 142.27 32.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.5 mt -101.06 136.73 40.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.405 ' NZ ' HD23 ' A' ' 87' ' ' LEU . 25.5 mtpp -103.61 146.37 28.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -102.54 125.37 49.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -51.58 120.96 5.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 94.52 -33.8 5.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -104.38 124.47 49.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -111.45 96.54 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.38 157.85 49.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -164.51 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.3 -10.81 46.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -88.1 16.89 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' CB ' HD22 ' A' ' 101' ' ' LEU . 1.4 t-20 -58.47 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.65 114.39 19.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.462 ' CH2' HD11 ' A' ' 101' ' ' LEU . 43.4 m95 -83.99 115.49 22.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -107.2 146.91 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.6 t -88.26 -178.77 5.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -57.45 -24.04 53.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.74 -29.26 59.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.77 -23.54 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 42.9 t -55.91 -34.1 65.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -67.47 -19.15 65.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -101.98 -41.74 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.0 m -115.44 41.92 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 -45.53 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -53.54 -37.5 62.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.692 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.5 mt -73.25 -48.84 31.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.1 mm -51.72 -45.5 37.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -76.04 -39.71 55.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.36 -43.13 67.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -57.73 -36.2 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.948 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -77.22 -37.44 53.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -58.63 -46.93 86.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -66.99 -25.91 66.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.11 -24.66 54.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 101.27 35.75 4.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.549 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.32 158.15 37.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.5 mpp_? -88.83 160.19 44.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 175.86 7.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.607 2.205 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -130.47 157.5 77.28 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.634 0.73 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.56 40.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 p -161.96 127.04 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.391 . . . . 0.0 110.827 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -164.71 136.78 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.1 ttm -64.15 126.41 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.5 32.83 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 m -149.74 174.16 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -166.88 146.93 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.7 p -74.32 131.83 41.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.9 p -82.96 116.88 22.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.3 m -70.2 131.84 44.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -78.48 124.81 28.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -66.47 107.97 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.2 tp -80.96 137.57 36.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.55 167.01 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -103.46 141.26 36.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -78.46 -175.31 4.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.08 175.68 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.34 170.69 12.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -123.82 163.96 20.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -141.88 176.26 9.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -128.76 -56.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.3 70.79 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.07 37.03 2.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -80.85 149.64 29.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -97.14 -61.73 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.12 128.76 38.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.25 163.55 6.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -120.58 175.3 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -74.03 164.53 26.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -130.72 166.74 20.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -100.13 175.72 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.91 139.29 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.159 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.3 t -61.65 115.81 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -77.19 -43.34 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.589 ' HA ' HD13 ' A' ' 127' ' ' LEU . 7.8 ptpt -171.86 174.96 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.6 t -80.8 137.97 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.742 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.9 OUTLIER -89.47 -47.92 7.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -166.96 163.88 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -117.46 152.34 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.7 tpt85 -159.79 146.74 16.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 59.4 ttm -74.72 142.59 44.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.99 142.78 39.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.03 -31.59 67.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -75.42 -17.49 60.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.69 23.45 73.94 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.545 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.09 -29.55 50.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -170.27 -126.38 0.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -141.96 144.46 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -116.17 150.77 36.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -136.78 143.42 43.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.808 HD22 ' HB3' ' A' ' 113' ' ' ASN . 17.7 mt -81.63 141.72 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 116' ' ' SER . 14.9 mt -100.02 108.33 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.742 ' HG3' HD23 ' A' ' 87' ' ' LEU . 9.0 ttmt -79.89 126.83 31.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -80.23 143.58 33.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -63.21 119.07 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.43 -33.26 5.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -103.87 124.69 49.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -112.78 97.47 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.67 158.13 51.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -164.55 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.512 ' O ' HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -65.19 -11.72 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.39 16.42 5.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.808 ' HB3' HD22 ' A' ' 101' ' ' LEU . 2.1 t-20 -60.43 -163.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.77 115.51 26.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -81.78 118.93 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.714 ' HB2' HD11 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -112.06 142.75 44.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 58.5 m -85.13 175.43 8.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.98 -25.93 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.1 -46.53 75.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -79.9 -30.41 40.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 96.5 m -54.74 -26.92 37.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -52.19 -29.77 23.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -89.66 -35.59 7.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.4 ' HB3' HD12 ' A' ' 127' ' ' LEU . 78.7 m -97.15 33.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.933 0.396 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -48.15 54.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.18 -35.0 59.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 85' ' ' LYS . 22.3 mt -74.06 -45.68 47.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.3 mm -55.65 -44.51 77.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -76.04 -40.13 54.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.89 -46.59 74.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -60.78 -39.11 87.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -70.91 -33.2 70.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.77 -35.42 79.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.02 -29.12 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -76.23 -30.41 57.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.42 22.95 13.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.473 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -74.24 131.53 13.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.99 159.65 70.42 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 170.87 15.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 51.86 74.56 0.77 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.735 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 133.97 26.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.274 . . . . 0.0 112.369 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.838 -179.854 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.6 p -151.45 -179.68 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.791 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -114.07 85.89 2.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 40.8 mtm -98.35 111.74 23.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -114.27 -29.55 6.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 t -79.02 102.88 8.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -99.46 144.31 28.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 p -112.13 52.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -85.12 97.81 10.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 p -92.03 -70.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -168.53 157.35 8.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -121.11 73.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.0 mt -151.83 150.08 29.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.947 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -65.63 138.98 58.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -127.55 76.27 1.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -104.74 102.81 12.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.73 133.58 46.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -84.84 82.65 8.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -112.26 52.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -128.48 114.94 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -141.42 135.45 30.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 179.02 -178.51 48.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.32 -107.16 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -154.98 171.67 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -130.25 102.51 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -160.63 159.01 29.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -100.87 -74.27 0.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -175.87 163.23 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -165.36 138.91 4.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -121.98 172.3 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -142.45 109.27 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.68 149.81 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 127' ' ' LEU . 21.6 t -60.39 115.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.76 -54.95 3.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HA ' HD13 ' A' ' 127' ' ' LEU . 13.4 ptmt -159.87 174.83 13.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.7 t -88.27 136.04 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD23 ' HE2' ' A' ' 103' ' ' LYS . 0.6 OUTLIER -88.27 -57.23 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -142.18 165.4 27.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -121.53 162.33 20.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 -154.61 153.46 31.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.9 ttm -96.99 134.7 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.13 119.16 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -83.29 -32.44 26.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -71.12 -17.51 62.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.63 60.44 1.71 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -133.07 -64.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -145.25 -112.64 0.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -151.43 161.14 43.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -117.61 148.27 42.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -149.84 130.74 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' HB2' ' A' ' 113' ' ' ASN . 3.0 tp -81.89 136.65 35.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.526 HD22 ' CG1' ' A' ' 83' ' ' VAL . 63.9 mt -100.46 142.88 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.447 ' HE2' HD23 ' A' ' 87' ' ' LEU . 5.7 ttmm -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -89.74 142.68 27.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.81 119.05 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.31 -31.81 6.12 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -102.61 128.56 49.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.902 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.12 98.11 7.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.23 158.86 51.85 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -165.8 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -6.22 43.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.35 15.21 9.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.645 ' HB2' HD21 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -53.77 175.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 8.9 t -80.59 129.77 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -88.34 154.23 20.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 t -139.74 135.48 33.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 t -89.07 169.6 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.3 -29.89 25.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.95 -53.74 53.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -74.7 -28.3 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 98.3 m -55.8 -26.07 44.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.8 p -56.08 -26.88 51.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -86.23 -34.69 11.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.0 m -103.12 34.01 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -50.34 -42.41 52.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -52.86 -42.43 65.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.561 ' CD1' HG12 ' A' ' 83' ' ' VAL . 17.8 mt -72.47 -44.5 62.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.1 mm -51.72 -48.34 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -75.92 -39.86 55.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.31 72.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.144 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -64.01 -44.83 91.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -69.24 -36.26 77.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -52.08 -47.34 65.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.25 -25.98 66.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -81.74 -38.86 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.807 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.6 27.8 5.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -96.91 143.26 16.64 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.67 160.13 50.96 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 92.21 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.229 . . . . 0.0 112.351 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 51.84 74.71 0.74 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 140.66 43.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.259 . . . . 0.0 112.289 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 m -115.35 144.55 43.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.893 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -173.79 122.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.56 102.93 15.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.52 28.12 4.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -86.86 75.3 9.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -165.84 157.0 13.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.3 t -172.09 140.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -119.12 47.39 1.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.5 t -123.74 163.81 20.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.69 23.95 11.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -67.92 156.3 37.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.8 mt -144.42 125.31 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.43 -174.44 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -133.65 30.68 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -127.22 64.05 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.12 107.76 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.69 37.06 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -74.59 -67.13 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -85.14 170.08 13.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -116.19 -57.73 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 110.72 43.42 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 176.86 72.63 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -94.15 125.08 38.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -121.52 -67.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -124.77 132.41 53.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -105.56 -67.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -112.76 163.54 14.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.38 158.93 32.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -78.87 161.96 26.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -131.63 108.1 9.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.86 150.24 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.607 HG11 HD22 ' A' ' 102' ' ' LEU . 21.0 t -63.0 116.15 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -93.47 -49.96 5.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -154.75 141.17 18.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.9 t -69.1 123.91 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.762 HD23 ' HG3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -71.21 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -156.38 175.85 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -127.14 162.38 26.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -148.86 161.76 41.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.9 ttt -99.61 146.19 26.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.55 153.86 41.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -83.99 -30.02 26.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -78.93 -17.45 55.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.09 52.71 3.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.23 63.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 152.25 158.1 8.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.464 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -115.77 154.85 28.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -126.91 146.95 50.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -146.05 129.86 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.658 HD23 ' CB ' ' A' ' 87' ' ' LEU . 4.4 tp -81.73 133.71 35.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.607 HD22 HG11 ' A' ' 83' ' ' VAL . 76.7 mt -96.26 140.1 31.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.762 ' HG3' HD23 ' A' ' 87' ' ' LEU . 2.8 tttt -110.66 128.37 55.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -73.2 135.3 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.98 119.64 11.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.16 -32.38 5.71 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -103.13 124.86 49.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.95 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -105.6 97.78 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.47 158.59 51.45 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.577 0.703 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -166.79 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -12.0 58.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.21 15.49 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.525 ' HB3' HD21 ' A' ' 101' ' ' LEU . 8.1 t-20 -57.53 -175.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.42 136.81 36.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -103.62 154.36 19.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.34 144.91 49.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p -90.4 -178.78 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -59.84 -25.98 65.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.11 -36.91 61.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -80.44 -22.31 41.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 28.6 t -52.95 -28.79 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.3 t -80.12 -31.63 39.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -80.2 -41.82 11.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' A' ' 127' ' ' LEU . 30.4 p -112.48 34.9 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -50.42 -40.69 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -53.78 -43.27 69.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' A' ' 124' ' ' CYS . 34.1 mt -72.55 -43.74 63.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 41.9 mm -51.73 -50.8 30.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.0 -41.23 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.69 -38.48 55.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -65.01 -53.6 43.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -58.74 -37.38 76.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -63.62 -28.6 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -68.32 -29.94 68.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -80.24 -28.36 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 102.42 40.09 2.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.97 145.41 25.8 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -93.64 159.06 35.62 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.713 . . . . 0.0 110.877 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 135.79 31.43 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.265 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -51.67 156.79 2.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.64 0.733 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 162.69 41.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.3 p -148.45 150.02 32.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -79.1 171.39 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -26.23 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 57.76 48.65 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 m -106.25 -46.66 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.83 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -113.52 93.36 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.8 t -125.22 -50.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 60.7 m -95.45 -74.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 m 57.5 29.14 16.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -111.28 110.97 21.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -163.71 119.63 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER -119.46 122.97 42.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' N ' HD13 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -121.83 178.57 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.876 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -172.88 129.31 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -140.28 151.29 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -157.82 132.79 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -141.37 150.35 42.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -164.59 132.13 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -129.2 153.42 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -169.36 127.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.0 144.18 6.93 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 174.35 111.88 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -103.55 92.33 4.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -112.68 132.13 55.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -97.4 156.39 16.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -77.02 146.79 37.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -101.93 163.73 12.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -162.16 113.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -125.99 144.93 50.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -70.85 113.03 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.7 t -136.23 148.99 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.619 HG22 HD13 ' A' ' 102' ' ' LEU . 20.6 t -61.51 116.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.164 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -96.34 -55.06 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -146.07 174.87 10.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.3 t -101.97 121.55 53.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.591 ' CB ' HD23 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -71.77 -61.74 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -154.61 174.03 15.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -123.5 161.41 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -147.15 144.89 29.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 35.7 mtp -80.0 144.77 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.33 133.19 41.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.15 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -82.37 -27.55 32.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -85.67 -17.42 36.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.88 23.87 40.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.424 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.96 -43.95 9.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -176.92 -128.51 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -127.71 162.62 26.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.926 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -127.43 147.97 50.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -148.16 133.03 18.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.591 HD23 ' CB ' ' A' ' 87' ' ' LEU . 2.8 tp -81.69 129.3 34.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.619 HD13 HG22 ' A' ' 83' ' ' VAL . 46.7 mt -87.16 143.4 27.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.555 ' HE2' HD23 ' A' ' 87' ' ' LEU . 6.1 ttmm -114.65 124.98 53.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -74.39 139.84 44.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.66 118.92 12.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.8 -32.23 5.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.86 124.9 49.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.986 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -108.64 97.55 7.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.64 159.06 50.32 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -166.16 0.18 Allowed 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.385 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.34 -11.56 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -89.9 15.26 10.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.519 ' CB ' HD21 ' A' ' 101' ' ' LEU . 6.7 t-20 -59.3 -171.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.59 130.02 34.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -100.23 134.11 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.4 ' HB2' HD11 ' A' ' 102' ' ' LEU . 2.7 t -121.35 144.4 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.3 t -68.37 177.57 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -74.02 -27.21 60.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.59 -23.7 28.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -68.1 -19.84 64.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 13.2 p -53.61 -25.34 17.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.0 t -68.21 -32.41 72.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -94.17 -41.84 4.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 29.1 p -101.92 33.42 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -42.95 53.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -53.56 -41.05 66.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.565 ' CD1' HG12 ' A' ' 83' ' ' VAL . 12.3 mt -72.74 -45.58 57.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.4 mm -51.86 -47.37 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.95 -39.84 55.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.5 -43.28 84.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -60.27 -54.33 47.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -61.38 -37.6 83.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -56.62 -27.71 58.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.42 -28.03 63.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -78.16 -25.93 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 107.41 39.99 1.84 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.5 174.61 17.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.526 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.49 160.43 82.58 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.88 17.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -128.52 157.51 74.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 137.4 35.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.3 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.858 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -140.92 137.09 32.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.374 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -76.44 164.81 25.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -109.26 135.74 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -116.25 40.51 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m -131.0 133.99 46.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -136.03 123.88 22.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.6 p -66.63 101.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.1 m -107.84 161.4 14.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.6 p -145.21 155.52 43.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -142.14 128.16 19.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.07 160.74 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mp -114.67 79.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.47 109.6 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -93.96 72.03 4.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -91.95 101.65 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.9 131.25 19.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -97.52 95.97 8.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -57.81 166.27 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -146.84 123.11 10.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -146.2 112.46 5.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 105.65 153.75 21.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.87 35.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.551 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -98.3 146.75 25.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -84.61 155.95 21.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -142.13 160.57 39.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -124.63 29.21 6.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -100.68 -64.11 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.1 t70 53.46 47.74 23.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -146.25 164.47 32.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.452 ' HE1' ' HH ' ' A' ' 107' ' ' TYR . 15.3 m-85 -119.98 171.85 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.12 150.16 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.57 115.38 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -54.86 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.536 ' HA ' HD22 ' A' ' 127' ' ' LEU . 0.0 OUTLIER -170.16 174.29 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 127' ' ' LEU . 94.2 t -79.43 124.47 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.614 ' CB ' HD23 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -70.9 -57.99 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -160.62 169.09 23.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -118.18 162.68 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -152.65 167.99 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.3 ptm -116.75 120.54 38.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.33 117.02 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -66.14 -25.97 67.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -69.95 -17.43 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.39 19.07 31.2 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -77.88 -19.4 75.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.62 -106.46 0.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.523 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -149.17 171.07 17.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.872 0.367 . . . . 0.0 110.932 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -141.44 168.68 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -144.14 128.22 17.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.834 HD21 ' HB2' ' A' ' 113' ' ' ASN . 5.6 tp -81.88 134.02 35.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.44 141.71 28.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.528 ' HG3' HD23 ' A' ' 87' ' ' LEU . 64.0 tttt -116.42 140.55 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -93.33 138.78 31.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -72.3 121.43 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.33 -32.23 5.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.452 ' HH ' ' HE1' ' A' ' 81' ' ' TYR . 48.3 m-85 -102.93 124.71 48.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.863 0.363 . . . . 0.0 110.95 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -107.94 97.41 7.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.82 159.08 49.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -67.41 -9.64 43.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -86.94 15.76 5.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.834 ' HB2' HD21 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -52.73 175.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.873 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.3 m -79.77 127.98 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -94.81 151.34 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 p -130.65 142.18 50.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.3 m -86.69 179.08 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.8 -30.02 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.83 63.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.74 -24.48 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 30.4 t -51.94 -32.03 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -80.82 -32.58 35.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -75.08 -39.72 36.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.417 ' HB3' HD12 ' A' ' 127' ' ' LEU . 75.6 m -104.45 36.37 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.29 -44.32 53.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -51.92 -41.55 62.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.674 ' HB3' HG23 ' A' ' 86' ' ' VAL . 15.8 mt -72.53 -44.4 62.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.3 mm -52.14 -47.94 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -75.85 -39.95 55.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.96 -39.48 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.083 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -56.3 -56.79 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -69.22 -27.51 65.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -65.18 -31.13 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -65.81 -29.48 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -88.06 -32.41 18.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 103.26 41.4 2.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.45 156.69 32.24 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -71.98 160.45 82.64 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 179.91 3.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -111.18 160.27 29.71 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 173.7 10.61 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.317 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 47.5 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.832 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.0 p -139.79 120.41 14.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -162.31 123.02 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.0 tpp -82.48 139.81 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -134.14 52.48 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.1 t -93.41 154.74 17.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -81.58 138.67 35.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.0 m -61.84 -37.61 85.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 p -124.61 156.57 37.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -87.3 151.2 23.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -94.77 94.62 8.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 101.97 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.0 tp -90.03 140.62 29.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -92.41 103.65 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.28 157.37 22.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -145.03 156.32 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -105.05 148.6 26.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -95.34 160.51 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -115.57 178.45 4.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -140.11 132.49 28.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.89 -48.16 39.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.55 -160.23 53.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.452 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.41 103.79 0.17 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -90.78 150.44 21.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -123.24 134.21 54.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -128.89 133.63 47.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -76.28 155.95 33.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.29 169.84 9.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -111.63 150.92 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -129.87 155.08 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -117.52 118.04 31.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.0 p -132.46 148.65 31.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.699 HG11 HD22 ' A' ' 102' ' ' LEU . 25.4 t -61.79 115.54 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.13 -33.6 38.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.497 ' HA ' HD13 ' A' ' 127' ' ' LEU . 16.2 ptmt -174.35 175.48 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.4 t -93.1 143.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD23 ' NZ ' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -90.53 -62.03 1.55 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -144.91 175.35 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -124.47 139.2 54.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -138.65 154.26 48.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 26.6 mtp -89.85 151.09 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.77 148.31 50.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -75.89 -26.04 56.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -70.16 -17.52 63.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.09 30.81 16.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.03 84.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.435 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 148.03 156.01 6.87 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -118.14 137.0 53.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -124.13 133.49 53.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -120.04 147.07 45.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.589 HD12 ' CD1' ' A' ' 115' ' ' TRP . 0.3 OUTLIER -81.77 130.69 35.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.699 HD22 HG11 ' A' ' 83' ' ' VAL . 58.4 mt -93.24 126.09 38.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.467 ' NZ ' HD23 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -95.63 135.76 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -83.11 130.02 35.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -62.13 118.99 8.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.42 -32.73 5.32 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -103.26 124.67 49.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -97.72 96.67 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.28 158.95 48.58 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.633 0.73 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -8.88 58.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -92.64 16.85 11.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB2' HD21 ' A' ' 101' ' ' LEU . 5.6 t-20 -59.22 -169.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 10.8 t -79.73 139.82 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . 0.589 ' CD1' HD12 ' A' ' 101' ' ' LEU . 20.5 m0 -99.84 148.36 24.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.6 p -129.3 128.76 43.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.801 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 t -85.3 176.72 8.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -55.31 -29.97 59.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.85 99.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -78.47 -27.06 46.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 60.3 m -53.42 -29.01 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.1 t -56.88 -24.9 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -85.71 -41.15 7.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.471 ' HB2' HD12 ' A' ' 127' ' ' LEU . 28.3 p -107.3 37.36 2.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -50.38 -46.06 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -52.1 -39.55 59.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 85' ' ' LYS . 35.4 mt -72.42 -46.01 57.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 50.9 mm -52.51 -47.15 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.45 -39.37 58.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.48 83.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.105 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -56.16 -45.56 79.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -66.2 -42.8 88.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -58.13 -46.24 85.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -61.59 -29.3 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -80.24 -27.26 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 105.5 25.7 6.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.8 160.7 54.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -77.32 159.43 77.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.52 2.83 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -51.7 156.79 2.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 158.66 56.19 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.306 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 p -100.7 111.95 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -133.13 155.19 49.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.5 ptt? -79.33 -179.79 6.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -132.77 47.23 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.2 m -141.49 175.28 9.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.34 154.81 51.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.4 t -85.24 154.05 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.4 t -101.52 127.12 48.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.7 m -131.27 156.14 45.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.45 115.36 29.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -142.71 130.68 21.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.72 92.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.25 -36.25 2.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 58.36 41.06 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -88.94 -177.31 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -176.7 145.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -96.18 100.97 12.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -54.73 138.83 41.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.84 135.47 7.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -75.5 -57.5 3.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.9 106.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 129.56 91.51 0.63 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -81.59 -177.43 6.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.881 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -144.45 136.37 26.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -161.76 152.55 17.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -143.03 167.61 21.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -122.86 142.93 50.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -132.27 165.68 23.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -143.59 142.84 31.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -85.73 148.95 25.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.23 147.39 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.484 ' CG1' HD22 ' A' ' 102' ' ' LEU . 21.9 t -67.26 115.38 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -82.29 -54.98 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.73 ' HA ' HD22 ' A' ' 127' ' ' LEU . 7.4 ptmt -172.41 174.87 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.669 HG23 ' HB3' ' A' ' 127' ' ' LEU . 97.2 t -73.89 121.98 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.525 HD12 ' CD2' ' A' ' 101' ' ' LEU . 3.2 tm? -77.31 -59.4 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.497 ' HB3' HD13 ' A' ' 87' ' ' LEU . 18.3 ptmt -141.93 175.78 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -136.38 138.99 42.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -147.31 154.57 41.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.3 tpp -86.52 145.38 26.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.58 127.94 33.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -78.6 -26.46 45.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.07 -17.38 63.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.73 20.53 14.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.96 -119.19 2.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -105.29 -136.95 8.8 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.478 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -109.26 167.3 10.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.942 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -145.01 134.63 23.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.461 ' HB3' HG13 ' A' ' 86' ' ' VAL . 8.1 m-85 -120.36 138.83 53.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 113' ' ' ASN . 5.3 tp -82.42 135.68 35.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.493 ' HB2' HG23 ' A' ' 114' ' ' THR . 21.5 mt -87.15 143.37 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -114.45 147.08 39.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -94.53 132.01 39.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -66.8 118.86 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.39 -32.32 5.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -103.01 124.85 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.917 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -100.26 97.73 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.45 158.48 51.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -169.21 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.248 . . . . 0.0 112.374 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.55 -7.55 52.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -91.86 15.16 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' HB3' HD21 ' A' ' 101' ' ' LEU . 6.7 t-20 -58.48 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.493 HG23 ' HB2' ' A' ' 102' ' ' LEU . 14.6 t -80.64 134.03 35.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -97.46 152.5 18.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.2 p -132.27 128.11 37.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -60.74 -178.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -73.73 -31.79 63.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.58 -23.53 27.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -68.4 -19.9 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 12.8 p -53.85 -25.14 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.7 t -68.69 -32.17 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -102.1 -17.99 18.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.582 ' HB3' HD12 ' A' ' 127' ' ' LEU . 94.0 m -117.31 28.96 8.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.932 0.396 . . . . 0.0 110.938 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -50.14 -51.86 39.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -51.63 -33.29 32.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.73 HD22 ' HA ' ' A' ' 85' ' ' LYS . 24.4 mt -73.88 -46.99 41.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 43.8 mm -56.06 -43.21 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.86 -40.38 54.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.38 -43.92 79.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.86 -49.58 74.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -61.39 -33.44 73.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.76 -38.72 82.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -28.24 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -82.19 -28.15 32.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 99.94 29.44 6.86 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -80.4 149.69 30.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 62.2 mmt-85 -93.28 159.2 35.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 178.5 4.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.23 . . . . 0.0 112.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -139.29 73.7 36.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 117.64 5.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.835 . . . . . . . . 0 0 . 1 stop_ save_